Chembase list of 866358 unique molecular structures

ethyl 2-bromo-5-methylpyridine-3-carboxylate

$$$$ Data

M. F.

C9H10BrNO2

Suppliers	Catalog Number
Bide Pharmatech	BD241279

Database	Data ID
PubChem	12919731

M. W.

244.0852

CAS

65996-16-9

Similarity

N/A

ID: 292452

2-bromo-5-methylpyridine-3-carbaldehyde

$$$$ Data

M. F.

C7H6BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD241280

Database	Data ID
PubChem	70701053

M. W.

200.03264

CAS

1227577-73-2

Similarity

N/A

ID: 292453

2-bromo-5-methylpyridine-3-carbonitrile

$$$$ Data

M. F.

C7H5BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD241281

Database	Data ID
PubChem	12529027

M. W.

197.032

CAS

65996-18-1

Similarity

N/A

ID: 292454

3,5-dichloro-4-(hydroxymethyl)phenol

$$$$ Data

M. F.

C7H6Cl2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241282

Database	Data ID
PubChem	55253114

M. W.

193.02734

CAS

720679-54-9

Similarity

N/A

ID: 292455

2,4-dichloro-6-methylpyridine-3-carboxamide

$$$$ Data

M. F.

C7H6Cl2N2O

Suppliers	Catalog Number
Bide Pharmatech	BD241283

Database	Data ID
PubChem	778197

M. W.

205.04134

CAS

70593-58-7

Similarity

N/A

ID: 292456

2,4-dichloro-6-methylpyridine-3-carbonitrile

$$$$ Data

M. F.

C7H4Cl2N2

Suppliers	Catalog Number
Bide Pharmatech	BD241284

Database	Data ID
PubChem	11275471

M. W.

187.02606

CAS

38367-36-1

Similarity

N/A

ID: 292457

methyl 2,4-dichloro-6-methylpyridine-3-carboxylate

$$$$ Data

M. F.

C8H7Cl2NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241285
A&J Pharmtech	AJA-O19476

Database	Data ID
PubChem	15171394

M. W.

220.05268

CAS

138642-40-7

Similarity

N/A

ID: 292458

methyl 3,4-dimethyl-1H-pyrrole-2-carboxylate

$$$$ Data

M. F.

C8H11NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241286

Database	Data ID
PubChem	592724

M. W.

153.17844

CAS

50634-33-8

Similarity

N/A

ID: 292459

methyl 4,5-dichlorothiophene-2-carboxylate

$$$$ Data

M. F.

C6H4Cl2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD241289

Database	Data ID
PubChem	70701052

M. W.

211.06576

CAS

89281-29-8

Similarity

N/A

ID: 292460

ethyl 4,5-dichlorothiophene-2-carboxylate

$$$$ Data

M. F.

C7H6Cl2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD241290

Database	Data ID
PubChem	14639930

M. W.

225.09234

CAS

130562-97-9

Similarity

N/A

ID: 292461

5-bromo-2,3-dichlorothiophene

$$$$ Data

M. F.

C4HBrCl2S

Suppliers	Catalog Number
Bide Pharmatech	BD241291

Database	Data ID
PubChem	12792381

M. W.

231.92574

CAS

83663-36-9

Similarity

N/A

ID: 292462

N,N-dimethyl-2-nitro-1H-imidazole-1-sulfonamide

$$$$ Data

M. F.

C5H8N4O4S

Suppliers	Catalog Number
Bide Pharmatech	BD241292

Database	Data ID
PubChem	14358384

M. W.

220.20642

CAS

121816-80-6

Similarity

N/A

ID: 292463

1H-indazol-6-ylmethanamine hydrochloride

$$$$ Data

M. F.

C8H10ClN3

Suppliers	Catalog Number
Bide Pharmatech	BD241293

Database	Data ID
PubChem	70701050

M. W.

183.6381

CAS

943845-79-2

Similarity

N/A

ID: 292464

1H-indazol-6-ylmethanamine dihydrochloride

$$$$ Data

M. F.

C8H11Cl2N3

Suppliers	Catalog Number
Bide Pharmatech	BD241294

Database	Data ID
PubChem	22615275

M. W.

220.09904

CAS

267413-23-0

Similarity

N/A

ID: 292465

1H-indazole-4-carboxamide

$$$$ Data

M. F.

C8H7N3O

Suppliers	Catalog Number
Bide Pharmatech	BD241295

Database	Data ID
PubChem	57487270

M. W.

161.16068

CAS

1203579-36-5

Similarity

N/A

ID: 292466

3-amino-4-(ethoxycarbonyl)benzoic acid

$$$$ Data

M. F.

C10H11NO4

Suppliers	Catalog Number
Bide Pharmatech	BD241298

Database	Data ID
PubChem	21505195

M. W.

209.19864

CAS

218590-81-9

Similarity

N/A

ID: 292467

4-(ethoxycarbonyl)-3-nitrobenzoic acid

$$$$ Data

M. F.

C10H9NO6

Suppliers	Catalog Number
Bide Pharmatech	BD241299

Database	Data ID
PubChem	21520753

M. W.

239.18156

CAS

87424-40-6

Similarity

N/A

ID: 292468

4-ethyl 1-methyl 2-nitrobenzene-1,4-dicarboxylate

$$$$ Data

M. F.

C11H11NO6

Suppliers	Catalog Number
Bide Pharmatech	BD241300

Database	Data ID
PubChem	70701049

M. W.

253.20814

CAS

218590-76-2

Similarity

N/A

ID: 292469

4-benzyl 1-methyl 2-nitrobenzene-1,4-dicarboxylate

$$$$ Data

M. F.

C16H13NO6

Suppliers	Catalog Number
Bide Pharmatech	BD241301

Database	Data ID
PubChem	69975030

M. W.

315.27752

CAS

402925-14-8

Similarity

N/A

ID: 292470

4-ethyl 1-methyl 2-aminobenzene-1,4-dicarboxylate

$$$$ Data

M. F.

C11H13NO4

Suppliers	Catalog Number
Bide Pharmatech	BD241302

Database	Data ID
PubChem	70701048

M. W.

223.22522

CAS

218590-77-3

Similarity

N/A

ID: 292471

4-benzyl 1-methyl 2-aminobenzene-1,4-dicarboxylate

$$$$ Data

M. F.

C16H15NO4

Suppliers	Catalog Number
Bide Pharmatech	BD241303

Database	Data ID
PubChem	10779477

M. W.

285.2946

CAS

330807-53-9

Similarity

N/A

ID: 292472

3-bromo-4-(methoxycarbonyl)benzoic acid

$$$$ Data

M. F.

C9H7BrO4

Suppliers	Catalog Number
Bide Pharmatech	BD241304

Database	Data ID
PubChem	18673026

M. W.

259.05348

CAS

264272-63-1

Similarity

N/A

ID: 292473

2-chlorobenzene-1,4-dicarboxylic acid

$$$$ Data

M. F.

C8H5ClO4

Suppliers	Catalog Number
Bide Pharmatech	BD241306

Database	Data ID
PubChem	74785

M. W.

200.5759

CAS

1967-31-3

Similarity

N/A

ID: 292474

methyl 2-(methylamino)thiophene-3-carboxylate

$$$$ Data

M. F.

C7H9NO2S

Suppliers	Catalog Number
Bide Pharmatech	BD241307

Database	Data ID
PubChem	70701047

M. W.

171.21686

CAS

946197-90-6

Similarity

N/A

ID: 292475

2-N-methylthiophene-2,3-diamine

$$$$ Data

M. F.

C5H8N2S

Suppliers	Catalog Number
Bide Pharmatech	BD241308

Database	Data ID
PubChem	20200442

M. W.

128.19542

CAS

1314915-78-0

Similarity

N/A

ID: 292476

N-methyl-3-nitrothiophen-2-amine

$$$$ Data

M. F.

C5H6N2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD241309

Database	Data ID
PubChem	59635411

M. W.

158.17834

CAS

1150102-52-5

Similarity

N/A

ID: 292477

methyl 3-bromo-4-cyanobenzoate

$$$$ Data

M. F.

C9H6BrNO2

Suppliers	Catalog Number
Bide Pharmatech	BD241310

Database	Data ID
PubChem	23379143

M. W.

240.05344

CAS

942598-44-9

Similarity

N/A

ID: 292478

methyl 3-bromo-4-formylbenzoate

$$$$ Data

M. F.

C9H7BrO3

Suppliers	Catalog Number
Bide Pharmatech	BD241311

Database	Data ID
PubChem	53419620

M. W.

243.05408

CAS

90484-53-0

Similarity

N/A

ID: 292479

3-bromo-4-formylbenzoic acid

$$$$ Data

M. F.

C8H5BrO3

Suppliers	Catalog Number
Bide Pharmatech	BD241312

Database	Data ID
PubChem	11715580

M. W.

229.0275

CAS

91760-66-6

Similarity

N/A

ID: 292480

methyl 3-bromo-4-carbamoylbenzoate

$$$$ Data

M. F.

C9H8BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD241313

Database	Data ID
PubChem	67403808

M. W.

258.06872

CAS

1149388-50-0

Similarity

N/A

ID: 292481

3-bromo-4-carbamoylbenzoic acid

$$$$ Data

M. F.

C8H6BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD241314

Database	Data ID
PubChem	57748467

M. W.

244.04214

CAS

1149386-07-1

Similarity

N/A

ID: 292482

2-amino-6-nitrobenzamide

$$$$ Data

M. F.

C7H7N3O3

Suppliers	Catalog Number
Bide Pharmatech	BD241316

Database	Data ID
PubChem	54407937

M. W.

181.14878

CAS

1261676-58-7

Similarity

N/A

ID: 292483

tert-butyl N-(3-bromo-5-methylpyridin-2-yl)carbamate

$$$$ Data

M. F.

C11H15BrN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241317

Database	Data ID
PubChem	70701046

M. W.

287.153

CAS

1284210-79-2

Similarity

N/A

ID: 292484

5-bromo-2-formamidobenzoic acid

$$$$ Data

M. F.

C8H6BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD241318

Database	Data ID
PubChem	62073615

M. W.

244.04214

CAS

1248924-55-1

Similarity

N/A

ID: 292485

tert-butyl 4-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)piperidine-1-ca...

$$$$ Data

M. F.

C18H25N3O3

Suppliers	Catalog Number
Bide Pharmatech	BD241319

Database	Data ID
PubChem	21222103

M. W.

331.4094

CAS

173843-48-6

Similarity

N/A

ID: 292486

1-methyl-3-(1-phenylpiperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

$$$$ Data

M. F.

C19H21N3O

Suppliers	Catalog Number
Bide Pharmatech	BD241320

Database	Data ID
PubChem	70701045

M. W.

307.38954

CAS

521177-46-8

Similarity

N/A

ID: 292487

4-(benzyloxy)-1-methyl-1H-indole

$$$$ Data

M. F.

C16H15NO

Suppliers	Catalog Number
Bide Pharmatech	BD241321

Database	Data ID
PubChem	24776901

M. W.

237.2964

CAS

13523-93-8

Similarity

N/A

ID: 292488

ethyl 4-chlorothiophene-2-carboxylate

$$$$ Data

M. F.

C7H7ClO2S

Suppliers	Catalog Number
Bide Pharmatech	BD241322
A&J Pharmtech	AJA-O6666

Database	Data ID
PubChem	12290694

M. W.

190.64728

CAS

59614-94-7

Similarity

N/A

ID: 292489

ethyl 2-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate

$$$$ Data

M. F.

C12H14O4

Suppliers	Catalog Number
Bide Pharmatech	BD241323

Database	Data ID
PubChem	59386201

M. W.

222.23716

CAS

652983-15-8

Similarity

N/A

ID: 292490

2-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetic acid

$$$$ Data

M. F.

C10H10O4

Suppliers	Catalog Number
Bide Pharmatech	BD241324

Database	Data ID
PubChem	23111800

M. W.

194.184

CAS

1000414-37-8

Similarity

N/A

ID: 292491

methyl 2-(2-fluoro-6-methoxyphenyl)acetate

$$$$ Data

M. F.

C10H11FO3

Suppliers	Catalog Number
Bide Pharmatech	BD241326

Database	Data ID
PubChem	70701044

M. W.

198.1909432

CAS

1263379-06-1

Similarity

N/A

ID: 292492

methyl 2-hydroxy-5-methylpyridine-3-carboxylate

$$$$ Data

M. F.

C8H9NO3

Suppliers	Catalog Number
Bide Pharmatech	BD241327

Database	Data ID
PubChem	12387732

M. W.

167.16196

CAS

66909-32-8

Similarity

N/A

ID: 292493

ethyl 2-hydroxy-5-methylpyridine-3-carboxylate

$$$$ Data

M. F.

C9H11NO3

Suppliers	Catalog Number
Bide Pharmatech	BD241328

Database	Data ID
PubChem	13004794

M. W.

181.18854

CAS

85147-15-5

Similarity

N/A

ID: 292494

5-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

$$$$ Data

M. F.

C7H8N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241329

Database	Data ID
PubChem	13004797

M. W.

152.15062

CAS

85614-92-2

Similarity

N/A

ID: 292495

5-methyl-2-oxo-1,2-dihydropyridine-3-carbaldehyde

$$$$ Data

M. F.

C7H7NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241330

Database	Data ID
PubChem	70701043

M. W.

137.13598

CAS

1227575-72-5

Similarity

N/A

ID: 292496

5-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

$$$$ Data

M. F.

C7H6N2O

Suppliers	Catalog Number
Bide Pharmatech	BD241331

Database	Data ID
PubChem	56972670

M. W.

134.13534

CAS

38076-79-8

Similarity

N/A

ID: 292497

methyl 1-methyl-1H-1,3-benzodiazole-2-carboxylate

$$$$ Data

M. F.

C10H10N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241333

Database	Data ID
PubChem	2802598

M. W.

190.1986

CAS

2849-92-5

Similarity

N/A

ID: 292498

ethyl 1-methyl-1H-1,3-benzodiazole-2-carboxylate

$$$$ Data

M. F.

C11H12N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241334

Database	Data ID
PubChem	12447150

M. W.

204.22518

CAS

35342-97-3

Similarity

N/A

ID: 292499

methyl 3-bromo-6-chloropyridine-2-carboxylate

$$$$ Data

M. F.

C7H5BrClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD241336

Database	Data ID
PubChem	46311200

M. W.

250.4771

CAS

1214328-96-7

Similarity

N/A

ID: 292500

3-bromo-6-methoxypyridine-2-carbaldehyde

$$$$ Data

M. F.

C7H6BrNO2

Suppliers	Catalog Number
Bide Pharmatech	BD241338
A&J Pharmtech	AJA-O36188

Database	Data ID
PubChem	11074794

M. W.

216.03204

CAS

269058-49-3

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified