Chembase list of 866358 unique molecular structures

[5-(trifluoromethoxy)pyridin-3-yl]boronic acid

$$$$

M. F.

C6H5BF3NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37686

Database

Data ID

M. W.

206.9150096

CAS

1293389-50-0

Similarity

N/A

ID: 815402

2-(chloromethyl)-5-fluoropyridine

$$$$

M. F.

C6H5ClFN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37687

Database

Data ID

M. W.

145.5620032

CAS

915690-76-5

Similarity

N/A

ID: 815403

1-[5-(trifluoromethoxy)pyridin-3-yl]ethan-1-one

$$$$

M. F.

C8H6F3NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37689

Database

Data ID

M. W.

205.1339496

CAS

1060815-11-3

Similarity

N/A

ID: 815404

4,6-dichloropyridine-2-carbaldehyde

$$$$

M. F.

C6H3Cl2NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37690

Database

Data ID

M. W.

176.00012

CAS

132683-62-6

Similarity

N/A

ID: 815405

1-(4,6-dichloropyridin-2-yl)ethan-1-one

$$$$

M. F.

C7H5Cl2NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37691

Database

Data ID

M. W.

190.0267

CAS

1060815-12-4

Similarity

N/A

ID: 815406

1-(4,6-dichloropyridin-2-yl)-2,2,2-trifluoroethan-1-one

$$$$

M. F.

C7H2Cl2F3NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37693

Database

Data ID

M. W.

243.9980896

CAS

1060815-13-5

Similarity

N/A

ID: 815407

2-bromo-4,6-dichloropyridine

$$$$

M. F.

C5H2BrCl2N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37694

Database

Data ID

M. W.

226.88608

CAS

1060815-15-7

Similarity

N/A

ID: 815408

(4,6-dichloropyridin-2-yl)methanamine

$$$$

M. F.

C6H6Cl2N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37695

Database

Data ID

M. W.

177.03124

CAS

1060815-16-8

Similarity

N/A

ID: 815409

2,4-dichloro-6-(trifluoromethyl)pyridine

$$$$

M. F.

C6H2Cl2F3N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37696

Database

Data ID

M. W.

215.9879896

CAS

39891-02-6

Similarity

N/A

ID: 815410

6-(trifluoromethyl)pyridine-2,4-diol

$$$$

M. F.

C6H4F3NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37697

Database

Data ID

M. W.

179.0966696

CAS

947144-32-3

Similarity

N/A

ID: 815411

2,4-dichloro-6-(trifluoromethyl)pyridin-3-amine

$$$$

M. F.

C6H3Cl2F3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37698

Database

Data ID

M. W.

231.0026296

CAS

1060815-21-5

Similarity

N/A

ID: 815412

ethyl 2-(pyrazin-2-yl)acetate

$$$$

M. F.

C8H10N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37699

Database

Data ID

M. W.

166.1772

CAS

1060815-23-7

Similarity

N/A

ID: 815413

N-methoxy-N-methyl-2-(pyrazin-2-yl)acetamide

$$$$

M. F.

C8H11N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37700

Database

Data ID

M. W.

181.19184

CAS

1060815-24-8

Similarity

N/A

ID: 815414

tert-butyl 3-hydroxy-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate

$$$$

M. F.

C13H18N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37701

Database

Data ID

M. W.

250.29362

CAS

625098-86-4

Similarity

N/A

ID: 815415

3-(chloromethyl)-6-methoxypyridazine

$$$$

M. F.

C6H7ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37703

Database

Data ID

M. W.

158.58558

CAS

41227-73-0

Similarity

N/A

ID: 815416

2-chloro-4-iodo-6-(trifluoromethyl)pyridine

$$$$

M. F.

C6H2ClF3IN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37707

Database

Data ID

M. W.

307.4394596

CAS

205444-22-0

Similarity

N/A

ID: 815417

1,1-dimethyl-1,2,3,4-tetrahydroisoquinoline

$$$$

M. F.

C11H15N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37709

Database

Data ID

M. W.

161.2435

CAS

41565-85-9

Similarity

N/A

ID: 815418

(6-chloro-4-methoxypyridin-3-yl)boronic acid

$$$$

M. F.

C6H7BClNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37710

Database

Data ID

M. W.

187.38868

CAS

1072946-20-3

Similarity

N/A

ID: 815419

(2-chloro-5-methoxypyridin-3-yl)boronic acid

$$$$

M. F.

C6H7BClNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37711

Database

Data ID

M. W.

187.38868

CAS

1072946-26-9

Similarity

N/A

ID: 815420

2,6-dimethylpyridine-4-sulfonyl chloride

$$$$

M. F.

C7H8ClNO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37713

Database

Data ID

M. W.

205.66192

CAS

1025509-76-5

Similarity

N/A

ID: 815421

1,5-dimethyl-1H-imidazole-2-carbaldehyde

$$$$

M. F.

C6H8N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37715

Database

Data ID

M. W.

124.14052

CAS

955028-18-9

Similarity

N/A

ID: 815422

4-methyl-1,3-oxazole-2-carbaldehyde

$$$$

M. F.

C5H5NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37716

Database

Data ID

M. W.

111.0987

CAS

159015-07-3

Similarity

N/A

ID: 815423

5-methyl-1,3-oxazole-4-carbaldehyde

$$$$

M. F.

C5H5NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37717

Database

Data ID

M. W.

111.0987

CAS

956118-40-4

Similarity

N/A

ID: 815424

2-chloro-4-methyl-6-(trifluoromethyl)pyridine

$$$$

M. F.

C7H5ClF3N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37718

Database

Data ID

M. W.

195.5695096

CAS

749256-90-4

Similarity

N/A

ID: 815425

(4,6-di-tert-butylpyrimidin-2-yl)methanamine hydrochloride

$$$$

M. F.

C13H24ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37720

Database

Data ID

M. W.

257.80276

CAS

1196155-77-7

Similarity

N/A

ID: 815426

(4,6-dichloropyrimidin-2-yl)methanamine hydrochloride

$$$$

M. F.

C5H6Cl3N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37721

Database

Data ID

M. W.

214.48024

CAS

1196152-29-0

Similarity

N/A

ID: 815427

(4,6-dimethoxypyrimidin-2-yl)methanamine hydrochloride

$$$$

M. F.

C7H12ClN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37722

Database

Data ID

M. W.

205.64208

CAS

1196147-02-0

Similarity

N/A

ID: 815428

(4,6-diphenylpyrimidin-2-yl)methanamine hydrochloride

$$$$

M. F.

C17H16ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37723

Database

Data ID

M. W.

297.78204

CAS

1196146-40-3

Similarity

N/A

ID: 815429

2-(aminomethyl)pyrimidin-4-amine hydrochloride

$$$$

M. F.

C5H9ClN4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37724

Database

Data ID

M. W.

160.60476

CAS

1196145-19-3

Similarity

N/A

ID: 815430

(4-chloro-5-methylpyrimidin-2-yl)methanamine hydrochloride

$$$$

M. F.

C6H9Cl2N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37725

Database

Data ID

M. W.

194.06176

CAS

1196155-29-9

Similarity

N/A

ID: 815431

(1R,4R)-2,5-diazabicyclo[2.2.1]heptane

$$$$

M. F.

C5H10N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37726

Database

Data ID

M. W.

98.1463

CAS

132339-20-9

Similarity

N/A

ID: 815432

(4-chloro-6-methylpyrimidin-2-yl)methanamine hydrochloride

$$$$

M. F.

C6H9Cl2N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37730

Database

Data ID

M. W.

194.06176

CAS

1196152-23-4

Similarity

N/A

ID: 815433

4-methylpyridine-2,6-dicarbaldehyde

$$$$

M. F.

C8H7NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37733

Database

Data ID

M. W.

149.14668

CAS

506423-93-4

Similarity

N/A

ID: 815434

2-bromo-6-methoxypyridin-4-amine

$$$$

M. F.

C6H7BrN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37736

Database

Data ID

M. W.

203.03658

CAS

1196152-34-7

Similarity

N/A

ID: 815435

1-(6-methylpyridin-2-yl)cyclopropan-1-amine

$$$$

M. F.

C9H12N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37737

Database

Data ID

M. W.

148.20498

CAS

1060806-09-8

Similarity

N/A

ID: 815436

1-(5-bromopyridin-2-yl)cyclopropan-1-amine

$$$$

M. F.

C8H9BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37738

Database

Data ID

M. W.

213.07446

CAS

944718-22-3

Similarity

N/A

ID: 815437

1-(6-chloropyridin-2-yl)cyclopropan-1-amine

$$$$

M. F.

C8H9ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37739

Database

Data ID

M. W.

168.62346

CAS

1060811-69-9

Similarity

N/A

ID: 815438

1-(6-bromopyridin-2-yl)cyclopropan-1-amine

$$$$

M. F.

C8H9BrN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37740

Database

Data ID

M. W.

213.07446

CAS

1060811-33-7

Similarity

N/A

ID: 815439

1-(4-chloropyridin-2-yl)cyclopropan-1-amine

$$$$

M. F.

C8H9ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37741

Database

Data ID

M. W.

168.62346

CAS

1060808-97-0

Similarity

N/A

ID: 815440

6-chloro-5-hydroxypyridine-3-carbaldehyde

$$$$

M. F.

C6H4ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37743

Database

Data ID

M. W.

157.55446

CAS

176433-55-9

Similarity

N/A

ID: 815441

2-chloro-4-fluoropyridine-3-carboxylic acid

$$$$

M. F.

C6H3ClFNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37744

Database

Data ID

M. W.

175.5449232

CAS

929022-76-4

Similarity

N/A

ID: 815442

4-(4-bromophenyl)morpholin-3-one

$$$$

M. F.

C10H10BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37745

Database

Data ID

M. W.

256.0959

CAS

634905-12-7

Similarity

N/A

ID: 815443

CAS_121629-14-9,882855-71-2 molecular structure

methyl 4,4-difluorocyclohexane-1-carboxylate

$$$$

M. F.

C8H12F2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37746

Database

Data ID

M. W.

178.1764864

CAS

121629-14-9,882855-71-2

Similarity

N/A

ID: 815444

tert-butyl N-[5-(aminomethyl)pyridin-3-yl]carbamate

$$$$

M. F.

C11H17N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37747

Database

Data ID

M. W.

223.27158

CAS

1017793-23-5

Similarity

N/A

ID: 815445

3-(trifluoromethyl)-1,2,4-oxadiazole-5-carbaldehyde

$$$$

M. F.

C4HF3N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37748

Database

Data ID

M. W.

166.0581496

CAS

1196152-87-0

Similarity

N/A

ID: 815446

tert-butyl N-[2-(2-bromophenyl)ethyl]carbamate

$$$$

M. F.

C13H18BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37749

Database

Data ID

M. W.

300.19152

CAS

171663-06-2

Similarity

N/A

ID: 815447

tert-butyl N-[2-(3-bromophenyl)ethyl]carbamate

$$$$

M. F.

C13H18BrNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37750

Database

Data ID

M. W.

300.19152

CAS

153732-25-3

Similarity

N/A

ID: 815448

CAS_319-24-4,391-93-5 molecular structure

ethyl 2-amino-5-fluorobenzoate

$$$$

M. F.

C9H10FNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37753

Database

Data ID

M. W.

183.1796032

CAS

319-24-4,391-93-5

Similarity

N/A

ID: 815449

2-(dimethylamino)pyridine-4-carbaldehyde

$$$$

M. F.

C8H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37757

Database

Data ID

M. W.

150.1778

CAS

774239-05-3

Similarity

N/A

ID: 815450

2,6-dimethylquinazolin-4-ol

$$$$

M. F.

C10H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O37758

Database

Data ID

M. W.

174.1992

CAS

18731-19-6

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