Chembase list of 866358 unique molecular structures

ID: 801901

(1S)-1-(5-fluoropyrimidin-2-yl)ethan-1-amine

$$$$

M. F.

C6H8FN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18275

Database

Data ID

M. W.

141.1462232

CAS

905587-29-3

Similarity

N/A

ID: 801902

5-fluoro-2-(prop-2-yn-1-yl)pyrimidine

$$$$

M. F.

C7H5FN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18276

Database

Data ID

M. W.

136.1264032

CAS

Similarity

N/A

ID: 801903

5-chloro-2-(prop-2-yn-1-yl)pyrimidine

$$$$

M. F.

C7H5ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18277

Database

Data ID

M. W.

152.581

CAS

Similarity

N/A

ID: 801904

2-(prop-2-yn-1-yl)-5-(trifluoromethyl)pyrimidine

$$$$

M. F.

C8H5F3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18278

Database

Data ID

M. W.

186.1339096

CAS

Similarity

N/A

ID: 801905

1-[5-(trifluoromethyl)pyrimidin-2-yl]ethan-1-amine

$$$$

M. F.

C7H8F3N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18279

Database

Data ID

M. W.

191.1537296

CAS

Similarity

N/A

ID: 801906

(1S)-1-[5-(trifluoromethyl)pyrimidin-2-yl]ethan-1-amine

$$$$

M. F.

C7H8F3N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18280

Database

Data ID

M. W.

191.1537296

CAS

Similarity

N/A

ID: 801907

(1R)-1-[5-(trifluoromethyl)pyrimidin-2-yl]ethan-1-amine

$$$$

M. F.

C7H8F3N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18281

Database

Data ID

M. W.

191.1537296

CAS

Similarity

N/A

ID: 801908

2-(chloromethyl)-1,3,5-triazine

$$$$

M. F.

C4H4ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18282

Database

Data ID

M. W.

129.54766

CAS

Similarity

N/A

ID: 801909

4-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole

$$$$

M. F.

C9H6F3N3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18283

Database

Data ID

M. W.

213.1592496

CAS

Similarity

N/A

ID: 801910

[3-(1H-1,2,3-triazol-4-yl)phenyl]boronic acid

$$$$

M. F.

C8H8BN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18284

Database

Data ID

M. W.

188.97902

CAS

Similarity

N/A

ID: 801911

[4-(1H-1,2,3-triazol-4-yl)phenyl]boronic acid

$$$$

M. F.

C8H8BN3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18285

Database

Data ID

M. W.

188.97902

CAS

Similarity

N/A

ID: 801912

2-bromo-5-(1H-1,2,3-triazol-4-yl)pyridine

$$$$

M. F.

C7H5BrN4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18286

Database

Data ID

M. W.

225.0454

CAS

Similarity

N/A

ID: 801913

2-methoxy-5-(1H-1,2,3-triazol-4-yl)pyridine

$$$$

M. F.

C8H8N4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18287

Database

Data ID

M. W.

176.17532

CAS

Similarity

N/A

ID: 801914

1-(1,3-oxazol-4-yl)ethan-1-one

$$$$

M. F.

C5H5NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18288

Database

Data ID

M. W.

111.0987

CAS

859046-10-9

Similarity

N/A

ID: 801915

(1Z)-1-iodoprop-1-ene

$$$$

M. F.

C3H5I

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18289

Database

Data ID

M. W.

167.97627

CAS

Similarity

N/A

ID: 801916

1-[(E)-2-bromoethenyl]-4-(trifluoromethyl)benzene

$$$$

M. F.

C9H6BrF3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18290

Database

Data ID

M. W.

251.0431496

CAS

Similarity

N/A

ID: 801917

1-bromo-3-[(E)-2-bromoethenyl]benzene

$$$$

M. F.

C8H6Br2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18292

Database

Data ID

M. W.

261.94124

CAS

Similarity

N/A

ID: 801918

1-(benzyloxy)-3-[(E)-2-bromoethenyl]benzene

$$$$

M. F.

C15H13BrO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18293

Database

Data ID

M. W.

289.16712

CAS

Similarity

N/A

ID: 801919

1-[(E)-2-bromoethenyl]-3-(trifluoromethyl)benzene

$$$$

M. F.

C9H6BrF3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18294

Database

Data ID

M. W.

251.0431496

CAS

Similarity

N/A

ID: 801920

1-[(E)-2-bromoethenyl]-3,5-bis(trifluoromethyl)benzene

$$$$

M. F.

C10H5BrF6

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18295

Database

Data ID

M. W.

319.0411192

CAS

Similarity

N/A

ID: 801921

1-[(E)-2-bromoethenyl]-3,5-difluorobenzene

$$$$

M. F.

C8H5BrF2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18296

Database

Data ID

M. W.

219.0261064

CAS

Similarity

N/A

ID: 801922

5-bromo-4-chloro-2-iodopyridine

$$$$

M. F.

C5H2BrClIN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18297

Database

Data ID

M. W.

318.33755

CAS

Similarity

N/A

ID: 801923

5-bromo-3-fluoro-2-iodopyridine

$$$$

M. F.

C5H2BrFIN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18298

Database

Data ID

M. W.

301.8829532

CAS

Similarity

N/A

ID: 801924

5-bromo-4-fluoro-2-iodopyridine

$$$$

M. F.

C5H2BrFIN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18299

Database

Data ID

M. W.

301.8829532

CAS

Similarity

N/A

ID: 801925

3-bromo-2-chloro-6-iodopyridine

$$$$

M. F.

C5H2BrClIN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18300

Database

Data ID

M. W.

318.33755

CAS

Similarity

N/A

ID: 801926

3-bromo-2-fluoro-6-iodopyridine

$$$$

M. F.

C5H2BrFIN

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18301

Database

Data ID

M. W.

301.8829532

CAS

1260665-99-3

Similarity

N/A

ID: 801927

3-bromo-6-iodo-2-methoxypyridine

$$$$

M. F.

C6H5BrINO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18302

Database

Data ID

M. W.

313.91847

CAS

Similarity

N/A

ID: 801928

ethyl 5-amino-3-chloropyridine-2-carboxylate

$$$$

M. F.

C8H9ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18303

Database

Data ID

M. W.

200.62226

CAS

Similarity

N/A

ID: 801929

5-fluoro-6-methylpyridin-3-amine

$$$$

M. F.

C6H7FN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18304

Database

Data ID

M. W.

126.1315832

CAS

1211542-12-9

Similarity

N/A

ID: 801930

5-amino-3-chloropyridine-2-carboxylic acid

$$$$

M. F.

C6H5ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18305

Database

Data ID

M. W.

172.5691

CAS

Similarity

N/A

ID: 801931

4-fluoro-6-methylpyridin-3-amine

$$$$

M. F.

C6H7FN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18306

Database

Data ID

M. W.

126.1315832

CAS

Similarity

N/A

ID: 801932

5-amino-4-fluoropyridine-2-carboxylic acid

$$$$

M. F.

C6H5FN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18307

Database

Data ID

M. W.

156.1145032

CAS

Similarity

N/A

ID: 801933

5-amino-3-fluoropyridine-2-carboxylic acid

$$$$

M. F.

C6H5FN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18308

Database

Data ID

M. W.

156.1145032

CAS

1260669-97-3

Similarity

N/A

ID: 801934

5-amino-2-fluoropyridine-3-carbonitrile

$$$$

M. F.

C6H4FN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18309

Database

Data ID

M. W.

137.1144632

CAS

Similarity

N/A

ID: 801935

5-amino-6-chloropyridine-3-carbonitrile

$$$$

M. F.

C6H4ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18310

Database

Data ID

M. W.

153.56906

CAS

1260672-23-8

Similarity

N/A

ID: 801936

5-amino-6-bromopyridine-3-carbonitrile

$$$$

M. F.

C6H4BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18311

Database

Data ID

M. W.

198.02006

CAS

Similarity

N/A

ID: 801937

methyl 5-amino-6-iodopyridine-3-carboxylate

$$$$

M. F.

C7H7IN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18312

Database

Data ID

M. W.

278.04715

CAS

Similarity

N/A

ID: 801938

5-fluoro-2-methylpyridin-3-amine

$$$$

M. F.

C6H7FN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18313

Database

Data ID

M. W.

126.1315832

CAS

1256835-55-8

Similarity

N/A

ID: 801939

2-methyl-5-(trifluoromethyl)pyridin-3-amine

$$$$

M. F.

C7H7F3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18314

Database

Data ID

M. W.

176.1390896

CAS

945971-08-4

Similarity

N/A

ID: 801940

5-methoxy-2-methylpyridin-3-amine

$$$$

M. F.

C7H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18315

Database

Data ID

M. W.

138.1671

CAS

1104455-29-9

Similarity

N/A

ID: 801941

5-methoxy-3-methylpyridin-2-amine

$$$$

M. F.

C7H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18316

Database

Data ID

M. W.

138.1671

CAS

Similarity

N/A

ID: 801942

3-methyl-5-(trifluoromethyl)pyridin-2-amine

$$$$

M. F.

C7H7F3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18317

Database

Data ID

M. W.

176.1390896

CAS

945971-04-0

Similarity

N/A

ID: 801943

6-chloro-3-methylpyridin-2-amine

$$$$

M. F.

C6H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18318

Database

Data ID

M. W.

142.58618

CAS

442128-86-1

Similarity

N/A

ID: 801944

6-methoxy-3-methylpyridin-2-amine

$$$$

M. F.

C7H10N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18319

Database

Data ID

M. W.

138.1671

CAS

Similarity

N/A

ID: 801945

methyl 6-amino-5-methylpyridine-2-carboxylate

$$$$

M. F.

C8H10N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18320

Database

Data ID

M. W.

166.1772

CAS

Similarity

N/A

ID: 801946

3-methyl-6-(trifluoromethyl)pyridin-2-amine

$$$$

M. F.

C7H7F3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18321

Database

Data ID

M. W.

176.1390896

CAS

Similarity

N/A

ID: 801947

methyl 6-amino-5-chloropyridine-2-carboxylate

$$$$

M. F.

C7H7ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18322

Database

Data ID

M. W.

186.59568

CAS

1260666-60-1

Similarity

N/A

ID: 801948

methyl 6-amino-5-fluoropyridine-3-carboxylate

$$$$

M. F.

C7H7FN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18323

Database

Data ID

M. W.

170.1410832

CAS

Similarity

N/A

ID: 801949

methyl 6-amino-5-hydroxypyridine-3-carboxylate

$$$$

M. F.

C7H8N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18324

Database

Data ID

M. W.

168.15002

CAS

1260663-92-0

Similarity

N/A

ID: 801950

methyl 6-amino-4-chloropyridine-3-carboxylate

$$$$

M. F.

C7H7ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O18325

Database

Data ID

M. W.

186.59568

CAS

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