Chembase list of 866358 unique molecular structures

$$$$

M. F.

C10H7N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13321

Database

Data ID

M. W.

169.18268

CAS

83562-16-7

Similarity

N/A

ID: 799102

6-hydroxyisoquinoline-3-carboxylic acid

$$$$

M. F.

C10H7NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13323

Database

Data ID

M. W.

189.16748

CAS

850305-96-3

Similarity

N/A

ID: 799103

6-fluoro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-amine

$$$$

M. F.

C11H14FNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13324

Database

Data ID

M. W.

195.2333632

CAS

226922-93-6

Similarity

N/A

ID: 799104

6-(4-fluorophenyl)-9-methyl-9H-purine

$$$$

M. F.

C12H9FN4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13325

Database

Data ID

M. W.

228.2250632

CAS

736142-77-1

Similarity

N/A

ID: 799105

4-(aminomethyl)-N-methylpyridin-3-amine

$$$$

M. F.

C7H11N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13326

Database

Data ID

M. W.

137.18234

CAS

847666-30-2

Similarity

N/A

ID: 799106

2-ethynyl-5-methylpyridin-1-ium-1-olate

$$$$

M. F.

C8H7NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13327

Database

Data ID

M. W.

133.14728

CAS

499187-53-0

Similarity

N/A

ID: 799107

4-ethynylpyridine

$$$$

M. F.

C7H5N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13329

Database

Data ID

M. W.

103.1213

CAS

2510-22-7

Similarity

N/A

ID: 799108

3,4-dimethoxy-2-methylpyridin-1-ium-1-olate

$$$$

M. F.

C8H11NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13334

Database

Data ID

M. W.

169.17784

CAS

72830-07-0

Similarity

N/A

ID: 799109

1-amino-4-methyl-1,2,3,6-tetrahydropyridine-2,6-dione

$$$$

M. F.

C6H8N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13335

Database

Data ID

M. W.

140.13992

CAS

327070-43-9

Similarity

N/A

ID: 799110

6-oxo-5,6-dihydropyridine-3-carbaldehyde

$$$$

M. F.

C6H5NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13336

Database

Data ID

M. W.

123.1094

CAS

106984-91-2

Similarity

N/A

ID: 799111

2-sulfanylidene-1,2-dihydropyridine-3-carbaldehyde

$$$$

M. F.

C6H5NOS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13341

Database

Data ID

M. W.

139.175

CAS

61856-52-8

Similarity

N/A

ID: 799112

N-[(pyridin-3-yl)methyl]-4H-1,2,4-triazol-3-amine

$$$$

M. F.

C8H9N5

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13343

Database

Data ID

M. W.

175.19056

CAS

200431-98-7

Similarity

N/A

ID: 799113

N-[(pyridin-3-yl)methyl]cyclobutanamine

$$$$

M. F.

C10H14N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13344

Database

Data ID

M. W.

162.23156

CAS

185509-76-6

Similarity

N/A

ID: 799114

2-cyano-1,2-dihydropyridine-4-carboxylic acid

$$$$

M. F.

C7H6N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13348

Database

Data ID

M. W.

150.13474

CAS

161233-97-2

Similarity

N/A

ID: 799115

4-fluoropyridine-3-carboxylic acid

$$$$

M. F.

C6H4FNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13349

Database

Data ID

M. W.

141.0998632

CAS

152126-33-5

Similarity

N/A

ID: 799116

ethyl 2-methoxy-6-methylpyridine-4-carboxylate

$$$$

M. F.

C10H13NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13354

Database

Data ID

M. W.

195.21512

CAS

262296-07-1

Similarity

N/A

ID: 799117

ethyl 3-chloropyridine-4-carboxylate

$$$$

M. F.

C8H8ClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13355

Database

Data ID

M. W.

185.60762

CAS

211678-96-5

Similarity

N/A

ID: 799118

3-fluoro-4-methoxy-2-methylpyridine

$$$$

M. F.

C7H8FNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13357

Database

Data ID

M. W.

141.1429232

CAS

375368-86-8

Similarity

N/A

ID: 799119

(2-chloropyridin-3-yl)methanamine

$$$$

M. F.

C6H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13362

Database

Data ID

M. W.

142.58618

CAS

205744-14-5

Similarity

N/A

ID: 799120

(6-chloropyridin-2-yl)methanamine

$$$$

M. F.

C6H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13363

Database

Data ID

M. W.

142.58618

CAS

188637-75-4

Similarity

N/A

ID: 799121

2-(bromomethyl)-3-methylpyridine

$$$$

M. F.

C7H8BrN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13364

Database

Data ID

M. W.

186.04912

CAS

438218-62-3

Similarity

N/A

ID: 799122

2,6-bis(chloromethyl)pyridin-1-ium-1-olate

$$$$

M. F.

C7H7Cl2NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13366

Database

Data ID

M. W.

192.04258

CAS

201160-41-0

Similarity

N/A

ID: 799123

2,4-dichloro-5-(chloromethyl)pyridine

$$$$

M. F.

C6H4Cl3N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13369

Database

Data ID

M. W.

196.46166

CAS

73998-96-6

Similarity

N/A

ID: 799124

(2E)-2-hydrazinylidene-2,3-dihydropyridine-3-carbonitrile

$$$$

M. F.

C6H6N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13373

Database

Data ID

M. W.

134.13864

CAS

368869-92-5

Similarity

N/A

ID: 799125

2-(methylsulfanyl)pyridine-3-carbonitrile

$$$$

M. F.

C7H6N2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13374

Database

Data ID

M. W.

150.20094

CAS

219766-02-6

Similarity

N/A

ID: 799126

2-cyano-4-methylpyridin-1-ium-1-olate

$$$$

M. F.

C7H6N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13375

Database

Data ID

M. W.

134.13534

CAS

170487-39-5

Similarity

N/A

ID: 799127

2-oxo-2,3-dihydropyridine-3-carbonitrile

$$$$

M. F.

C6H4N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13377

Database

Data ID

M. W.

120.10876

CAS

94805-52-4

Similarity

N/A

ID: 799128

5-ethyl-2-(4-methylpyrrolidin-2-yl)pyridine

$$$$

M. F.

C12H18N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13393

Database

Data ID

M. W.

190.28472

CAS

603089-94-7

Similarity

N/A

ID: 799129

3-(4-methylpyrrolidin-2-yl)pyridine

$$$$

M. F.

C10H14N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13394 AJA-O13396

Database

Data ID

M. W.

162.23156

CAS

603090-13-7

Similarity

N/A

ID: 799130

5-methyl-2-(4-methylpyrrolidin-2-yl)pyridine

$$$$

M. F.

C11H16N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13395

Database

Data ID

M. W.

176.25814

CAS

603089-92-5

Similarity

N/A

ID: 799131

3-methyl-2-(4-methylpyrrolidin-2-yl)pyridine

$$$$

M. F.

C11H16N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13397

Database

Data ID

M. W.

176.25814

CAS

603089-96-9

Similarity

N/A

ID: 799132

2-(4-methylpyrrolidin-2-yl)pyridine

$$$$

M. F.

C10H14N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13398

Database

Data ID

M. W.

162.23156

CAS

603089-88-9

Similarity

N/A

ID: 799133

4-(4-methylpyrrolidin-2-yl)pyridine

$$$$

M. F.

C10H14N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13399

Database

Data ID

M. W.

162.23156

CAS

603089-86-7

Similarity

N/A

ID: 799134

6-aminopyridine-3-thiol

$$$$

M. F.

C5H6N2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13401

Database

Data ID

M. W.

126.17954

CAS

68559-17-1

Similarity

N/A

ID: 799135

2-sulfanylpyridin-3-ol

$$$$

M. F.

C5H5NOS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13402

Database

Data ID

M. W.

127.1643

CAS

23003-22-7

Similarity

N/A

ID: 799136

4-methylpyridine-2-thiol

$$$$

M. F.

C6H7NS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13403

Database

Data ID

M. W.

125.19148

CAS

18368-65-5

Similarity

N/A

ID: 799137

4-aminopyridine-2-thiol

$$$$

M. F.

C5H6N2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13404

Database

Data ID

M. W.

126.17954

CAS

775228-90-5

Similarity

N/A

ID: 799138

6-aminopyridine-2-thiol

$$$$

M. F.

C5H6N2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13405

Database

Data ID

M. W.

126.17954

CAS

741198-44-7

Similarity

N/A

ID: 799139

2-aminopyridine-4-thiol

$$$$

M. F.

C5H6N2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13406

Database

Data ID

M. W.

126.17954

CAS

683738-44-5

Similarity

N/A

ID: 799140

6-amino-2,5-dimethylpyridine-3-carbonitrile

$$$$

M. F.

C8H9N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13407

Database

Data ID

M. W.

147.17716

CAS

221135-69-9

Similarity

N/A

ID: 799141

4-amino-6-methoxypyridine-3-carbonitrile

$$$$

M. F.

C7H7N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13408

Database

Data ID

M. W.

149.14998

CAS

686278-89-7

Similarity

N/A

ID: 799142

2,5-diethynylpyridine

$$$$

M. F.

C9H5N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13409

Database

Data ID

M. W.

127.1427

CAS

137000-75-0

Similarity

N/A

ID: 799143

2,6-diethynylpyridine

$$$$

M. F.

C9H5N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13410

Database

Data ID

M. W.

127.1427

CAS

75867-46-8

Similarity

N/A

ID: 799144

CAS_67227-90-1,683738-44-5 molecular structure

3,5-diethynylpyridine

$$$$

M. F.

C9H5N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13411

Database

Data ID

M. W.

127.1427

CAS

67227-90-1,683738-44-5

Similarity

N/A

ID: 799145

5-ethynylpyridine-3-carbonitrile

$$$$

M. F.

C8H4N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13412

Database

Data ID

M. W.

128.13076

CAS

152803-05-9

Similarity

N/A

ID: 799146

2-ethynylpyridine-3-carbonitrile

$$$$

M. F.

C8H4N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13413

Database

Data ID

M. W.

128.13076

CAS

132898-81-8

Similarity

N/A

ID: 799147

2-ethyl-6-ethynylpyridine

$$$$

M. F.

C9H9N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13414

Database

Data ID

M. W.

131.17446

CAS

676343-10-5

Similarity

N/A

ID: 799148

2-ethynyl-4,5-dimethylpyridine

$$$$

M. F.

C9H9N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13415

Database

Data ID

M. W.

131.17446

CAS

512197-95-4

Similarity

N/A

ID: 799149

4-ethyl-2-ethynylpyridine

$$$$

M. F.

C9H9N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13416

Database

Data ID

M. W.

131.17446

CAS

475174-64-2

Similarity

N/A

ID: 799150

5-ethynylpyridine-3-carbaldehyde

$$$$

M. F.

C8H5NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O13417

Database

Data ID

M. W.

131.1314

CAS

252989-57-4

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