Chembase list of 866358 unique molecular structures

8-oxo-5,6,7,8-tetrahydroquinoline-2-carbaldehyde

$$$$

M. F.

C10H9NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16559

Database

Data ID

M. W.

175.18396

CAS

238755-38-9

Similarity

N/A

ID: 800552

8-oxo-5,6,7,8-tetrahydroquinoline-2-carboxylic acid

$$$$

M. F.

C10H9NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16560

Database

Data ID

M. W.

191.18336

CAS

238755-39-0

Similarity

N/A

ID: 800553

2-bromo-5,6,7,8-tetrahydroquinolin-8-one

$$$$

M. F.

C9H8BrNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16561

Database

Data ID

M. W.

226.06992

CAS

Similarity

N/A

ID: 800554

pyrazine-2,6-dicarbaldehyde

$$$$

M. F.

C6H4N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16562

Database

Data ID

M. W.

136.10816

CAS

Similarity

N/A

ID: 800555

pyridazine-3,6-dicarbaldehyde

$$$$

M. F.

C6H4N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16563

Database

Data ID

M. W.

136.10816

CAS

Similarity

N/A

ID: 800556

2-formylpyrimidine-4-carbonitrile

$$$$

M. F.

C6H3N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16564

Database

Data ID

M. W.

133.10752

CAS

126534-98-3

Similarity

N/A

ID: 800557

4-formylpyrimidine-2-carbonitrile

$$$$

M. F.

C6H3N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16565

Database

Data ID

M. W.

133.10752

CAS

145276-04-6

Similarity

N/A

ID: 800558

pyrimidine-2,4,6-tricarbaldehyde

$$$$

M. F.

C7H4N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16566

Database

Data ID

M. W.

164.11826

CAS

Similarity

N/A

ID: 800559

1,4-dioxaspiro[4.5]decan-6-one

$$$$

M. F.

C8H12O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16567

Database

Data ID

M. W.

156.17908

CAS

4746-96-7

Similarity

N/A

ID: 800560

(1,2-thiazol-4-yl)boronic acid

$$$$

M. F.

C3H4BNO2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16568

Database

Data ID

M. W.

128.94536

CAS

1448859-47-9

Similarity

N/A

ID: 800561

4-(chloromethyl)-1,2-thiazole

$$$$

M. F.

C4H4ClNS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16569

Database

Data ID

M. W.

133.59926

CAS

Similarity

N/A

ID: 800562

methyl[(1,2-thiazol-4-yl)methyl]amine

$$$$

M. F.

C5H8N2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16570

Database

Data ID

M. W.

128.19542

CAS

Similarity

N/A

ID: 800563

ethyl 2-(4-chloro-5-fluoropyridin-2-yl)acetate

$$$$

M. F.

C9H9ClFNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16572

Database

Data ID

M. W.

217.6246632

CAS

Similarity

N/A

ID: 800564

2-(4-chloro-5-fluoropyridin-2-yl)acetic acid

$$$$

M. F.

C7H5ClFNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16573

Database

Data ID

M. W.

189.5715032

CAS

Similarity

N/A

ID: 800565

5,6-dimethylpyridine-2-carbaldehyde

$$$$

M. F.

C8H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16574

Database

Data ID

M. W.

135.16316

CAS

Similarity

N/A

ID: 800566

2,3-dimethyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

$$$$

M. F.

C13H20BNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16575

Database

Data ID

M. W.

233.1144

CAS

Similarity

N/A

ID: 800567

2-(5,6-dimethylpyridin-2-yl)acetic acid

$$$$

M. F.

C9H11NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16576

Database

Data ID

M. W.

165.18914

CAS

Similarity

N/A

ID: 800568

ethyl 2-(5,6-dimethylpyridin-2-yl)acetate

$$$$

M. F.

C11H15NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16577

Database

Data ID

M. W.

193.2423

CAS

Similarity

N/A

ID: 800569

5-(chloromethyl)-6-methylpyridine-2-carbonitrile

$$$$

M. F.

C8H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16578

Database

Data ID

M. W.

166.60758

CAS

Similarity

N/A

ID: 800570

5-(chloromethyl)-6-methylpyridine-3-carbonitrile

$$$$

M. F.

C8H7ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16579

Database

Data ID

M. W.

166.60758

CAS

Similarity

N/A

ID: 800571

(5-chloro-2-methylpyridin-4-yl)boronic acid

$$$$

M. F.

C6H7BClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16580

Database

Data ID

M. W.

171.38928

CAS

Similarity

N/A

ID: 800572

(5-methoxy-2-methylpyridin-4-yl)boronic acid

$$$$

M. F.

C7H10BNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16581

Database

Data ID

M. W.

166.9702

CAS

1247667-11-3

Similarity

N/A

ID: 800573

4,6-dimethylpyridine-3-carbaldehyde

$$$$

M. F.

C8H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16583

Database

Data ID

M. W.

135.16316

CAS

116785-23-0

Similarity

N/A

ID: 800574

4,5-dimethylpyridine-2-carbaldehyde

$$$$

M. F.

C8H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16584

Database

Data ID

M. W.

135.16316

CAS

Similarity

N/A

ID: 800575

2,5-dimethylpyridine-4-carbaldehyde

$$$$

M. F.

C8H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16585

Database

Data ID

M. W.

135.16316

CAS

Similarity

N/A

ID: 800576

5-chloro-1,2-dihydro-2,6-naphthyridin-1-one

$$$$

M. F.

C8H5ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16587

Database

Data ID

M. W.

180.5911

CAS

1260671-09-7

Similarity

N/A

ID: 800577

5-[(E)-2-bromoethenyl]-2-(trifluoromethyl)pyridine

$$$$

M. F.

C8H5BrF3N

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16588

Database

Data ID

M. W.

252.0312096

CAS

Similarity

N/A

ID: 800578

[2-(pyridin-3-yl)cyclopropyl]boronic acid

$$$$

M. F.

C8H10BNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16589

Database

Data ID

M. W.

162.9815

CAS

Similarity

N/A

ID: 800579

[2-(6-chloropyridin-3-yl)cyclopropyl]boronic acid

$$$$

M. F.

C8H9BClNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16590

Database

Data ID

M. W.

197.42656

CAS

Similarity

N/A

ID: 800580

[2-(6-methoxypyridin-3-yl)cyclopropyl]boronic acid

$$$$

M. F.

C9H12BNO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16591

Database

Data ID

M. W.

193.00748

CAS

Similarity

N/A

ID: 800581

[2-(6-methylpyridin-3-yl)cyclopropyl]boronic acid

$$$$

M. F.

C9H12BNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16592

Database

Data ID

M. W.

177.00808

CAS

Similarity

N/A

ID: 800582

{2-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}boronic acid

$$$$

M. F.

C9H9BF3NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16593

Database

Data ID

M. W.

230.9794696

CAS

Similarity

N/A

ID: 800583

{2-[4-(trifluoromethyl)phenyl]cyclopropyl}boronic acid

$$$$

M. F.

C10H10BF3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16594

Database

Data ID

M. W.

229.9914096

CAS

Similarity

N/A

ID: 800584

[2-(4-fluorophenyl)cyclopropyl]boronic acid

$$$$

M. F.

C9H10BFO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16595

Database

Data ID

M. W.

179.9839032

CAS

Similarity

N/A

ID: 800585

[2-(3-fluorophenyl)cyclopropyl]boronic acid

$$$$

M. F.

C9H10BFO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16596

Database

Data ID

M. W.

179.9839032

CAS

Similarity

N/A

ID: 800586

[2-(3-chlorophenyl)cyclopropyl]boronic acid

$$$$

M. F.

C9H10BClO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16597

Database

Data ID

M. W.

196.4385

CAS

Similarity

N/A

ID: 800587

[2-(3-methoxyphenyl)cyclopropyl]boronic acid

$$$$

M. F.

C10H13BO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16598

Database

Data ID

M. W.

192.01942

CAS

Similarity

N/A

ID: 800588

[2-(4-methylphenyl)cyclopropyl]boronic acid

$$$$

M. F.

C10H13BO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16599

Database

Data ID

M. W.

176.02002

CAS

Similarity

N/A

ID: 800589

methyl 3-methyloxetane-3-carboxylate

$$$$

M. F.

C6H10O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16600

Database

Data ID

M. W.

130.1418

CAS

1260670-18-5

Similarity

N/A

ID: 800590

3-phenyloxetan-3-amine

$$$$

M. F.

C9H11NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16601

Database

Data ID

M. W.

149.18974

CAS

Similarity

N/A

ID: 800591

3-(4-fluorophenyl)oxetan-3-amine

$$$$

M. F.

C9H10FNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16602

Database

Data ID

M. W.

167.1802032

CAS

Similarity

N/A

ID: 800592

3-(4-chlorophenyl)oxetan-3-amine

$$$$

M. F.

C9H10ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16603

Database

Data ID

M. W.

183.6348

CAS

Similarity

N/A

ID: 800593

[3-(4-chlorophenyl)oxetan-3-yl]methanamine

$$$$

M. F.

C10H12ClNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16604

Database

Data ID

M. W.

197.66138

CAS

Similarity

N/A

ID: 800594

[3-(4-fluorophenyl)oxetan-3-yl]methanamine

$$$$

M. F.

C10H12FNO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16605

Database

Data ID

M. W.

181.2067832

CAS

Similarity

N/A

ID: 800595

4-(4-nitrophenyl)oxan-4-amine

$$$$

M. F.

C11H14N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16607

Database

Data ID

M. W.

222.24046

CAS

Similarity

N/A

ID: 800596

2,3-dihydrospiro[isoindole-1,4'-oxane]

$$$$

M. F.

C12H15NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16608

Database

Data ID

M. W.

189.2536

CAS

Similarity

N/A

ID: 800597

2-fluoro-4-isocyanatopyridine

$$$$

M. F.

C6H3FN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16609

Database

Data ID

M. W.

138.0992232

CAS

Similarity

N/A

ID: 800598

2-chloro-4-isocyanatopyridine

$$$$

M. F.

C6H3ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16610

Database

Data ID

M. W.

154.55382

CAS

855773-46-5

Similarity

N/A

ID: 800599

2-bromo-4-isocyanatopyridine

$$$$

M. F.

C6H3BrN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16611

Database

Data ID

M. W.

199.00482

CAS

Similarity

N/A

ID: 800600

4-isocyanato-2-methylpyridine

$$$$

M. F.

C7H6N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O16612

Database

Data ID

M. W.

134.13534

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