chempirical

1H-Pyrrolo[2,3-B]pyridine-5-carboxylic acid methyl ester

C9H8N2O2CAS 849067-96-5176.18 g/mol

Open in Covalent MOL file
OONNH
Ester

Properties

Molecular formula
C9H8N2O2
Molar mass
176.18 g/mol
Exact mass
176.0586 Da
logP
1.35Crippen estimate
Polar surface area
55.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
849067-96-5
SMILES
COC(=O)C1=CN=C2C(=C1)C=CN2
InChIKey
HUOFVBYYMPMLBQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O2/c1-13-9(12)7-4-6-2-3-10-8(6)11-5-7/h2-5H,1H3,(H,10,11)

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Names and synonyms

1 names
  • Methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate

Work with 1H-Pyrrolo[2,3-B]pyridine-5-carboxylic acid methyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl indole-5-carboxylate1011-65-062 % similar Indole-6-carboxylic acid methyl ester50820-65-057 % similar Methyl 4-fluoro-2-(1H-pyrrolo(2,3-b)pyridin-5-yloxy)benzoate1235865-75-454 % similar Dimethyl 3,5-pyridinedicarboxylate4591-55-353 % similar 2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-353 % similar 6-Fluoronicotinic acid methyl ester1427-06-153 % similar Methyl 2-oxo-1,2-dihydropyridine-4-carboxylate89937-77-953 % similar 5-Methoxy-1H-pyrrolo[2,3-B]pyridine183208-36-851 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Methyl-1H-indazole-3-carboxylic acid1201-24-7 Methyl 7-azaindole-6-carboxylate1256825-86-1 Methyl imidazo(1,2-a)pyridine-6-carboxylate136117-69-6 5-Amino-1H-indole-2-carboxylic acid152213-40-6 Methyl 1H-indazole-6-carboxylate170487-40-8 Imidazo[1,2-a]pyridine-3-acetic acid17745-04-9 4-(1H)Indazole carboxylic acid methyl ester192945-49-6 Pemoline2152-34-3

Elsewhere

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