chempirical

1H-Pyrrolo(2,3-b)pyridine-6-carboxylic acid

C8H6N2O2CAS 898746-35-5162.15 g/mol

Open in Covalent MOL file
NHNOOH
Carboxylic acid

Properties

Molecular formula
C8H6N2O2
Molar mass
162.15 g/mol
Exact mass
162.0429 Da
logP
1.26Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 2
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
898746-35-5
SMILES
C1=CC(=NC2=C1C=CN2)C(=O)O
InChIKey
LDJMQIKMKHNGDB-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-8(12)6-2-1-5-3-4-9-7(5)10-6/h1-4H,(H,9,10)(H,11,12)

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Names and synonyms

1 names
  • 1H-Pyrrolo[2,3-B]pyridine-6-carboxylic acid

Work with 1H-Pyrrolo(2,3-b)pyridine-6-carboxylic acid

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

1,10-Phenanthroline-2,9-dicarboxylic acid57709-61-259 % similar Methyl 7-azaindole-6-carboxylate1256825-86-158 % similar 1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid872355-64-157 % similar Quinaldic acid93-10-751 % similar 6-Fluoro-1H-pyrrolo[2,3-b]pyridine898746-42-449 % similar Dipicolinic acid499-83-248 % similar 8-Hydroxyquinoline-2-carboxylic acid1571-30-848 % similar 1,6-Naphthyridine-2-carboxylic acid197507-59-848 % similar

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

Same formula

Pyrazolo[1,5-A]pyridine-5-carboxylic acid104468-87-3 3-(5-Azaindole)carboxylic acid119248-43-0 N-Phenylsydnone120-06-9 Imidazo[1,2-A]pyridine-8-carboxylic acid133427-08-4 1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid136818-50-3 Imidazo(1,2-a)pyridine-6-carboxylic acid139022-25-6 2,3-Dihydro-1,4-phthalazinedione1445-69-8 1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid156270-06-3

Elsewhere

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