chempirical

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

C9H8N2O2CAS 808137-94-2176.18 g/mol

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OOHNN
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
808137-94-2
SMILES
COC(=O)C1=CNC2=C1C=CC=N2
InChIKey
XYRUNIAHPKBUJT-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O2/c1-13-9(12)7-5-11-8-6(7)3-2-4-10-8/h2-5H,1H3,(H,10,11)

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Names and synonyms

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

Work with Methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate

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

1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid156270-06-363 % similar 1-(1H-Pyrrolo(2,3-b)pyridin-3-yl)ethan-1-one83393-46-863 % similar 2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-955 % similar Methyl 2-methylnicotinate65719-09-754 % similar Methyl 2-aminopyridine-3-carboxylate14667-47-152 % similar Methyl 2-chloronicotinate40134-18-752 % similar 2-Fluoronicotinic acid methyl ester446-26-452 % similar Methyl 2-bromopyridine-3-carboxylate52718-95-352 % 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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