Chembase list of 866358 unique molecular structures

methyl 3-bromo-6-methoxypyridine-2-carboxylate

$$$$ Data

M. F.

C8H8BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD241339

Database	Data ID
PubChem	46311224

M. W.

246.05802

CAS

1214332-49-6

Similarity

N/A

ID: 292502

ethyl 3-bromo-6-methoxypyridine-2-carboxylate

$$$$ Data

M. F.

C9H10BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD241340

Database	Data ID
PubChem	46311486

M. W.

260.0846

CAS

1214377-88-4

Similarity

N/A

ID: 292503

2-ethynyl-4,6-difluoroaniline

$$$$ Data

M. F.

C8H5F2N

Suppliers	Catalog Number
Bide Pharmatech	BD241341

Database	Data ID
PubChem	21578138

M. W.

153.1288064

CAS

684250-12-2

Similarity

N/A

ID: 292504

2,4-difluoro-6-[2-(trimethylsilyl)ethynyl]aniline

$$$$ Data

M. F.

C11H13F2NSi

Suppliers	Catalog Number
Bide Pharmatech	BD241342

Database	Data ID
PubChem	21578136

M. W.

225.3099264

CAS

684250-21-3

Similarity

N/A

ID: 292505

2,5-diethynylaniline

$$$$ Data

M. F.

C10H7N

Suppliers	Catalog Number
Bide Pharmatech	BD241343

Database	Data ID
PubChem	22486671

M. W.

141.16928

CAS

137000-70-5

Similarity

N/A

ID: 292506

1,4-diethynyl-2-nitrobenzene

$$$$ Data

M. F.

C10H5NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241344

Database	Data ID
PubChem	12120518

M. W.

171.1522

CAS

113639-27-3

Similarity

N/A

ID: 292507

methyl 2-formylpyridine-4-carboxylate

$$$$ Data

M. F.

C8H7NO3

Suppliers	Catalog Number
Bide Pharmatech	BD241345

Database	Data ID
PubChem	19744506

M. W.

165.14608

CAS

125104-34-9

Similarity

N/A

ID: 292508

ethyl 2-formylpyridine-4-carboxylate

$$$$ Data

M. F.

C9H9NO3

Suppliers	Catalog Number
Bide Pharmatech	BD241346

Database	Data ID
PubChem	19600808

M. W.

179.17266

CAS

21908-08-7

Similarity

N/A

ID: 292509

ethyl 2-carbamoylpyridine-4-carboxylate

$$$$ Data

M. F.

C9H10N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD241347

Database	Data ID
PubChem	11790073

M. W.

194.1873

CAS

166766-77-4

Similarity

N/A

ID: 292510

2-(hydroxymethyl)pyridine-4-carboxylic acid

$$$$ Data

M. F.

C7H7NO3

Suppliers	Catalog Number
Bide Pharmatech	BD241348

Database	Data ID
PubChem	21804739

M. W.

153.13538

CAS

915140-06-6

Similarity

N/A

ID: 292511

[6-(dimethylamino)naphthalen-2-yl]methanol

$$$$ Data

M. F.

C13H15NO

Suppliers	Catalog Number
Bide Pharmatech	BD241350

Database	Data ID
PubChem	59200868

M. W.

201.2643

CAS

891491-99-9

Similarity

N/A

ID: 292512

6-(dimethylamino)naphthalene-2-carboxylic acid

$$$$ Data

M. F.

C13H13NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241351

Database	Data ID
PubChem	15333973

M. W.

215.24782

CAS

5043-05-0

Similarity

N/A

ID: 292513

methyl 6-(dimethylamino)naphthalene-2-carboxylate

$$$$ Data

M. F.

C14H15NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241352

Database	Data ID
PubChem	70701042

M. W.

229.2744

CAS

5043-06-1

Similarity

N/A

ID: 292514

5-methyl-1H-[1,2,3]triazolo[4,5-b]pyridine

$$$$ Data

M. F.

C6H6N4

Suppliers	Catalog Number
Bide Pharmatech	BD241353

Database	Data ID
PubChem	53485288

M. W.

134.13864

CAS

27582-23-6

Similarity

N/A

ID: 292515

2-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile

$$$$ Data

M. F.

C10H5ClN2S

Suppliers	Catalog Number
Bide Pharmatech	BD241354

Database	Data ID
PubChem	70701041

M. W.

220.6781

CAS

1369251-28-4

Similarity

N/A

ID: 292516

ethyl 2-(4-chlorophenyl)-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C12H10ClNO2S

Suppliers	Catalog Number
Bide Pharmatech	BD241355
A&J Pharmtech	AJA-O25501

Database	Data ID
PubChem	53403642

M. W.

267.7313

CAS

886369-30-8

Similarity

N/A

ID: 292517

methyl 2-(4-chlorophenyl)-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C11H8ClNO2S

Suppliers	Catalog Number
Bide Pharmatech	BD241356

Database	Data ID
PubChem	57362703

M. W.

253.70472

CAS

1206980-97-3

Similarity

N/A

ID: 292518

1-[4-(chloromethyl)phenyl]-1H-imidazole

$$$$ Data

M. F.

C10H9ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD241357

Database	Data ID
PubChem	7063859

M. W.

192.64486

CAS

789445-30-3

Similarity

N/A

ID: 292519

1-[4-(bromomethyl)phenyl]-1H-imidazole

$$$$ Data

M. F.

C10H9BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD241359

Database	Data ID
PubChem	70701040

M. W.

237.09586

CAS

143426-54-4

Similarity

N/A

ID: 292520

1-[2-(chloromethyl)phenyl]-1H-imidazole

$$$$ Data

M. F.

C10H9ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD241360

Database	Data ID
PubChem	14459152

M. W.

192.64486

CAS

117296-93-2

Similarity

N/A

ID: 292521

[2-(1H-imidazol-1-yl)phenyl]methanamine dihydrochloride

$$$$ Data

M. F.

C10H13Cl2N3

Suppliers	Catalog Number
Bide Pharmatech	BD241363

Database	Data ID
PubChem	45156710

M. W.

246.13632

CAS

1197227-61-4

Similarity

N/A

ID: 292522

1-(benzenesulfonyl)-1H-pyrrolo[2,3-c]pyridine

$$$$ Data

M. F.

C13H10N2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD241364

Database	Data ID
PubChem	59581271

M. W.

258.2957

CAS

867034-27-3

Similarity

N/A

ID: 292523

2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine

$$$$ Data

M. F.

C9H10N2

Suppliers	Catalog Number
Bide Pharmatech	BD241365

Database	Data ID
PubChem	60026828

M. W.

146.1891

CAS

25796-97-8

Similarity

N/A

ID: 292524

2-propyl-1H-pyrrolo[2,3-c]pyridine

$$$$ Data

M. F.

C10H12N2

Suppliers	Catalog Number
Bide Pharmatech	BD241366

Database	Data ID
PubChem	70701039

M. W.

160.21568

CAS

882881-03-0

Similarity

N/A

ID: 292525

2-methyl-1H-pyrrolo[2,3-c]pyridine hydrochloride

$$$$ Data

M. F.

C8H9ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD241367

Database	Data ID
PubChem	71463655

M. W.

168.62346

CAS

65645-60-5

Similarity

N/A

ID: 292526

1-(3-phenoxyphenyl)piperidine

$$$$ Data

M. F.

C17H19NO

Suppliers	Catalog Number
Bide Pharmatech	BD241368

Database	Data ID
PubChem	70701038

M. W.

253.33886

CAS

1135032-28-8

Similarity

N/A

ID: 292527

3-(piperidin-1-yl)phenol hydrobromide

$$$$ Data

M. F.

C11H16BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD241369

Database	Data ID
PubChem	70701037

M. W.

258.15484

CAS

1071547-25-5

Similarity

N/A

ID: 292528

4,6-diiodopyrimidin-2-amine

$$$$ Data

M. F.

C4H3I2N3

Suppliers	Catalog Number
Bide Pharmatech	BD241370

Database	Data ID
PubChem	16726349

M. W.

346.89566

CAS

861031-48-3

Similarity

N/A

ID: 292529

5-amino-2,6-dichloropyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C5H3Cl2N3O2

Suppliers	Catalog Number
Bide Pharmatech	BD241373

Database	Data ID
PubChem	70701036

M. W.

208.00222

CAS

1207176-09-7

Similarity

N/A

ID: 292530

methyl 5-amino-2,6-dichloropyrimidine-4-carboxylate

$$$$ Data

M. F.

C6H5Cl2N3O2

Suppliers	Catalog Number
Bide Pharmatech	BD241374

Database	Data ID
PubChem	254405

M. W.

222.0288

CAS

502184-51-2

Similarity

N/A

ID: 292531

1-(benzenesulfonyl)-1H-pyrrolo[3,2-c]pyridine

$$$$ Data

M. F.

C13H10N2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD241375

Database	Data ID
PubChem	11010657

M. W.

258.2957

CAS

109113-39-5

Similarity

N/A

ID: 292532

2-tert-butyl-1H-pyrrolo[3,2-c]pyridine

$$$$ Data

M. F.

C11H14N2

Suppliers	Catalog Number
Bide Pharmatech	BD241376

Database	Data ID
PubChem	13154242

M. W.

174.24226

CAS

86847-76-9

Similarity

N/A

ID: 292533

2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine

$$$$ Data

M. F.

C9H10N2

Suppliers	Catalog Number
Bide Pharmatech	BD241377

Database	Data ID
PubChem	60109348

M. W.

146.1891

CAS

14623-27-9

Similarity

N/A

ID: 292534

1,2-dimethyl-1H-pyrrolo[3,2-c]pyridine

$$$$ Data

M. F.

C9H10N2

Suppliers	Catalog Number
Bide Pharmatech	BD241378

Database	Data ID
PubChem	20817285

M. W.

146.1891

CAS

680859-99-8

Similarity

N/A

ID: 292535

ethyl 2-bromo-5-(bromomethyl)benzoate

$$$$ Data

M. F.

C10H10Br2O2

Suppliers	Catalog Number
Bide Pharmatech	BD241379

Database	Data ID
PubChem	70701035

M. W.

321.9932

CAS

1261483-52-6

Similarity

N/A

ID: 292536

5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine

$$$$ Data

M. F.

C8H7BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD241380

Database	Data ID
PubChem	45480255

M. W.

211.05858

CAS

1111637-94-5

Similarity

N/A

ID: 292537

3,4-dichloro-1H-pyrrolo[2,3-b]pyridine

$$$$ Data

M. F.

C7H4Cl2N2

Suppliers	Catalog Number
Bide Pharmatech	BD241381

Database	Data ID
PubChem	20778064

M. W.

187.02606

CAS

1262408-75-2

Similarity

N/A

ID: 292538

ethyl 2-azabicyclo[2.1.1]hexane-1-carboxylate

$$$$ Data

M. F.

C8H13NO2

Suppliers	Catalog Number
Bide Pharmatech	BD241382

Database	Data ID
PubChem	13459970

M. W.

155.19432

CAS

98531-69-2

Similarity

N/A

ID: 292539

2-aminopyridine-4-carbothioamide

$$$$ Data

M. F.

C6H7N3S

Suppliers	Catalog Number
Bide Pharmatech	BD241386

Database	Data ID
PubChem	24693836

M. W.

153.20488

CAS

88526-59-4

Similarity

N/A

ID: 292540

6-aminopyridine-2-carbothioamide

$$$$ Data

M. F.

C6H7N3S

Suppliers	Catalog Number
Bide Pharmatech	BD241387

Database	Data ID
PubChem	64589015

M. W.

153.20488

CAS

1342900-31-5

Similarity

N/A

ID: 292541

3-aminopyridine-4-carbothioamide

$$$$ Data

M. F.

C6H7N3S

Suppliers	Catalog Number
Bide Pharmatech	BD241388

Database	Data ID
PubChem	70701034

M. W.

153.20488

CAS

150364-73-1

Similarity

N/A

ID: 292542

5-aminopyridine-3-carbothioamide

$$$$ Data

M. F.

C6H7N3S

Suppliers	Catalog Number
Bide Pharmatech	BD241389

Database	Data ID
PubChem	70701033

M. W.

153.20488

CAS

1355610-88-6

Similarity

N/A

ID: 292543

4-aminopyridine-3-carbothioamide

$$$$ Data

M. F.

C6H7N3S

Suppliers	Catalog Number
Bide Pharmatech	BD241390

Database	Data ID
PubChem	70701032

M. W.

153.20488

CAS

42242-22-8

Similarity

N/A

ID: 292544

3-aminopyridine-2-carbothioamide

$$$$ Data

M. F.

C6H7N3S

Suppliers	Catalog Number
Bide Pharmatech	BD241391

Database	Data ID
PubChem	22633096

M. W.

153.20488

CAS

42242-12-6

Similarity

N/A

ID: 292545

5-aminopyridine-2-carbothioamide

$$$$ Data

M. F.

C6H7N3S

Suppliers	Catalog Number
Alfa Aesar	H54721
Bide Pharmatech	BD241392

Database	Data ID
PubChem	70701031

M. W.

153.20488

CAS

1347815-39-7

Similarity

N/A

ID: 292546

4-aminopyridine-2-carbothioamide

$$$$ Data

M. F.

C6H7N3S

Suppliers	Catalog Number
Bide Pharmatech	BD241393

Database	Data ID
PubChem	62926761

M. W.

153.20488

CAS

1343641-19-9

Similarity

N/A

ID: 292547

methyl 4-(hydroxymethyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C7H8O3S

Suppliers	Catalog Number
Bide Pharmatech	BD241394

Database	Data ID
PubChem	58938167

M. W.

172.20162

CAS

816449-72-6

Similarity

N/A

ID: 292548

4-(hydroxymethyl)thiophene-2-carboxylic acid

$$$$ Data

M. F.

C6H6O3S

Suppliers	Catalog Number
Bide Pharmatech	BD241395

Database	Data ID
PubChem	17867873

M. W.

158.17504

CAS

14282-65-6

Similarity

N/A

ID: 292549

ethyl 4-(hydroxymethyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C8H10O3S

Suppliers	Catalog Number
Bide Pharmatech	BD241396

Database	Data ID
PubChem	18789511

M. W.

186.2282

CAS

14300-61-9

Similarity

N/A

ID: 292550

4-bromo-5-fluoro-1-methyl-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C6H5BrFNO

Suppliers	Catalog Number
Bide Pharmatech	BD241397

Database	Data ID
PubChem	59635671

M. W.

206.0124032

CAS

1193334-87-0

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