Chembase list of 866358 unique molecular structures

1-[2-methoxy-5-(trifluoromethyl)pyridin-3-yl]ethan-1-amine

$$$$

M. F.

C9H11F3N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19688

Database

Data ID

M. W.

220.1916496

CAS

Similarity

N/A

ID: 803052

1-[2-chloro-5-(trifluoromethyl)pyridin-3-yl]ethan-1-amine

$$$$

M. F.

C8H8ClF3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19689

Database

Data ID

M. W.

224.6107296

CAS

Similarity

N/A

ID: 803053

{[2-methoxy-5-(trifluoromethyl)pyridin-3-yl]methyl}(methyl)amine

$$$$

M. F.

C9H11F3N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19690

Database

Data ID

M. W.

220.1916496

CAS

Similarity

N/A

ID: 803054

{[2-chloro-5-(trifluoromethyl)pyridin-3-yl]methyl}(methyl)amine

$$$$

M. F.

C8H8ClF3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19691

Database

Data ID

M. W.

224.6107296

CAS

Similarity

N/A

ID: 803055

3-bromo-5-(trifluoromethyl)pyridine-4-carboxylic acid

$$$$

M. F.

C7H3BrF3NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19692

Database

Data ID

M. W.

270.0034296

CAS

Similarity

N/A

ID: 803056

3-amino-5-(trifluoromethyl)pyridine-4-carboxylic acid

$$$$

M. F.

C7H5F3N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19693

Database

Data ID

M. W.

206.1220096

CAS

Similarity

N/A

ID: 803057

5-(trifluoromethyl)pyridine-3-carbaldehyde

$$$$

M. F.

C7H4F3NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19694

Database

Data ID

M. W.

175.1079696

CAS

131747-67-6

Similarity

N/A

ID: 803058

1-[5-(trifluoromethyl)pyridin-3-yl]ethan-1-amine

$$$$

M. F.

C8H9F3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19695

Database

Data ID

M. W.

190.1656696

CAS

Similarity

N/A

ID: 803059

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

$$$$

M. F.

C8H6F3NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19696

Database

Data ID

M. W.

189.1345496

CAS

Similarity

N/A

ID: 803060

1-[5-(trifluoromethyl)pyridin-2-yl]ethan-1-one

$$$$

M. F.

C8H6F3NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19697

Database

Data ID

M. W.

189.1345496

CAS

248274-16-0

Similarity

N/A

ID: 803061

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

$$$$

M. F.

C8H9F3N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19698

Database

Data ID

M. W.

190.1656696

CAS

Similarity

N/A

ID: 803062

3-amino-5-(trifluoromethyl)pyridine-4-carbaldehyde

$$$$

M. F.

C7H5F3N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19699

Database

Data ID

M. W.

190.1226096

CAS

Similarity

N/A

ID: 803063

3-bromo-5-(trifluoromethyl)pyridine-4-carbaldehyde

$$$$

M. F.

C7H3BrF3NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19700

Database

Data ID

M. W.

254.0040296

CAS

Similarity

N/A

ID: 803064

2-chloro-1-methyl-1H-imidazole-5-carbaldehyde

$$$$

M. F.

C5H5ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19701

Database

Data ID

M. W.

144.559

CAS

Similarity

N/A

ID: 803065

2-chloro-1-methyl-1H-imidazole-5-carboxylic acid

$$$$

M. F.

C5H5ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19702

Database

Data ID

M. W.

160.5584

CAS

869002-61-9

Similarity

N/A

ID: 803066

methyl 2-chloro-1-methyl-1H-imidazole-5-carboxylate

$$$$

M. F.

C6H7ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19703

Database

Data ID

M. W.

174.58498

CAS

Similarity

N/A

ID: 803067

2-bromo-1-methyl-1H-imidazole-5-carbaldehyde

$$$$

M. F.

C5H5BrN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19704

Database

Data ID

M. W.

189.01

CAS

Similarity

N/A

ID: 803068

2-bromo-1-methyl-1H-imidazole-5-carboxylic acid

$$$$

M. F.

C5H5BrN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19705

Database

Data ID

M. W.

205.0094

CAS

852180-96-2

Similarity

N/A

ID: 803069

(2-chloro-1-methyl-1H-imidazol-5-yl)methanamine

$$$$

M. F.

C5H8ClN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19706

Database

Data ID

M. W.

145.59012

CAS

Similarity

N/A

ID: 803070

(2-bromo-1-methyl-1H-imidazol-5-yl)methanamine

$$$$

M. F.

C5H8BrN3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19707

Database

Data ID

M. W.

190.04112

CAS

Similarity

N/A

ID: 803071

5-(aminomethyl)-1-methyl-1H-imidazole-2-carbonitrile

$$$$

M. F.

C6H8N4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19708

Database

Data ID

M. W.

136.15452

CAS

Similarity

N/A

ID: 803072

5-formyl-1-methyl-1H-imidazole-2-carbonitrile

$$$$

M. F.

C6H5N3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19709

Database

Data ID

M. W.

135.1234

CAS

Similarity

N/A

ID: 803073

methyl 2-formyl-1-methyl-1H-imidazole-5-carboxylate

$$$$

M. F.

C7H8N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19710

Database

Data ID

M. W.

168.15002

CAS

Similarity

N/A

ID: 803074

methyl 5-formyl-1-methyl-1H-imidazole-2-carboxylate

$$$$

M. F.

C7H8N2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19711

Database

Data ID

M. W.

168.15002

CAS

Similarity

N/A

ID: 803075

methyl 2-(2-chloro-5-formyl-1H-imidazol-1-yl)acetate

$$$$

M. F.

C7H7ClN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19712

Database

Data ID

M. W.

202.59508

CAS

Similarity

N/A

ID: 803076

methyl 2-(2-bromo-5-formyl-1H-imidazol-1-yl)acetate

$$$$

M. F.

C7H7BrN2O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19713

Database

Data ID

M. W.

247.04608

CAS

Similarity

N/A

ID: 803077

1-benzyl-2-chloro-1H-imidazole-5-carbaldehyde

$$$$

M. F.

C11H9ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19714

Database

Data ID

M. W.

220.65496

CAS

Similarity

N/A

ID: 803078

1-benzyl-2-chloro-1H-imidazole-5-carboxylic acid

$$$$

M. F.

C11H9ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19715

Database

Data ID

M. W.

236.65436

CAS

Similarity

N/A

ID: 803079

1-benzyl-2-bromo-1H-imidazole-5-carbaldehyde

$$$$

M. F.

C11H9BrN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19716

Database

Data ID

M. W.

265.10596

CAS

Similarity

N/A

ID: 803080

1-benzyl-2-bromo-1H-imidazole-5-carboxylic acid

$$$$

M. F.

C11H9BrN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19717

Database

Data ID

M. W.

281.10536

CAS

Similarity

N/A

ID: 803081

2-(methylsulfanyl)-1H-imidazole-5-carbaldehyde

$$$$

M. F.

C5H6N2OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19719

Database

Data ID

M. W.

142.17894

CAS

Similarity

N/A

ID: 803082

5-(chloromethyl)-2-(methylsulfanyl)-1H-imidazole

$$$$

M. F.

C5H7ClN2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19720

Database

Data ID

M. W.

162.64048

CAS

944905-27-5

Similarity

N/A

ID: 803083

2-bromo-1H-imidazole-5-carbaldehyde

$$$$

M. F.

C4H3BrN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19721

Database

Data ID

M. W.

174.98342

CAS

Similarity

N/A

ID: 803084

2-chloro-1H-imidazole-5-carbaldehyde

$$$$

M. F.

C4H3ClN2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19722

Database

Data ID

M. W.

130.53242

CAS

Similarity

N/A

ID: 803085

2-(trifluoromethyl)-1H-imidazole-5-carbaldehyde

$$$$

M. F.

C5H3F3N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19723

Database

Data ID

M. W.

164.0853296

CAS

Similarity

N/A

ID: 803086

2-bromo-1H-imidazole-5-carboxylic acid

$$$$

M. F.

C4H3BrN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19725

Database

Data ID

M. W.

190.98282

CAS

Similarity

N/A

ID: 803087

2-chloro-1H-imidazole-5-carboxylic acid

$$$$

M. F.

C4H3ClN2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19726

Database

Data ID

M. W.

146.53182

CAS

Similarity

N/A

ID: 803088

5-chloro-1,2-dihydrospiro[indole-3,4'-piperidine]

$$$$

M. F.

C12H15ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19728

Database

Data ID

M. W.

222.7139

CAS

944901-03-5

Similarity

N/A

ID: 803089

5-methoxy-1,2-dihydrospiro[indole-3,4'-piperidine]

$$$$

M. F.

C13H18N2O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19729

Database

Data ID

M. W.

218.29482

CAS

Similarity

N/A

ID: 803090

5-methyl-1,2-dihydrospiro[indole-3,4'-piperidine]

$$$$

M. F.

C13H18N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19730

Database

Data ID

M. W.

202.29542

CAS

944905-39-9

Similarity

N/A

ID: 803091

5-methoxy-2-(trifluoromethyl)benzaldehyde

$$$$

M. F.

C9H7F3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19732

Database

Data ID

M. W.

204.1458896

CAS

944905-42-4

Similarity

N/A

ID: 803092

(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)boronic acid

$$$$

M. F.

C12H16BNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19733

Database

Data ID

M. W.

217.07194

CAS

Similarity

N/A

ID: 803093

(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)boronic acid

$$$$

M. F.

C6H12BNO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19734

Database

Data ID

M. W.

140.97598

CAS

Similarity

N/A

ID: 803094

{1-[(benzyloxy)carbonyl]-1,2,3,6-tetrahydropyridin-4-yl}boronic acid

$$$$

M. F.

C13H16BNO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19735

Database

Data ID

M. W.

261.08144

CAS

Similarity

N/A

ID: 803095

ethyl 4-cyano-1H-pyrrole-2-carboxylate

$$$$

M. F.

C8H8N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19736

Database

Data ID

M. W.

164.16132

CAS

944901-09-1

Similarity

N/A

ID: 803096

ethyl 4-phenyl-1H-pyrrole-2-carboxylate

$$$$

M. F.

C13H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19737

Database

Data ID

M. W.

215.24782

CAS

Similarity

N/A

ID: 803097

ethyl 4-(trifluoromethyl)-1H-pyrrole-2-carboxylate

$$$$

M. F.

C8H8F3NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19738

Database

Data ID

M. W.

207.1498296

CAS

Similarity

N/A

ID: 803098

ethyl 4-formyl-1-methyl-1H-pyrrole-2-carboxylate

$$$$

M. F.

C9H11NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19739

Database

Data ID

M. W.

181.18854

CAS

113169-27-0

Similarity

N/A

ID: 803099

ethyl 4-cyano-1-methyl-1H-pyrrole-2-carboxylate

$$$$

M. F.

C9H10N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19740

Database

Data ID

M. W.

178.1879

CAS

Similarity

N/A

ID: 803100

ethyl 1-methyl-4-phenyl-1H-pyrrole-2-carboxylate

$$$$

M. F.

C14H15NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O19741

Database

Data ID

M. W.

229.2744

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