chempirical

3H-Imidazo[4,5-B]pyridine-7-carboxylic acid

C7H5N3O2CAS 78316-08-2163.14 g/mol

Open in Covalent MOL file
NOOHNHN
Carboxylic acid

Properties

Molecular formula
C7H5N3O2
Molar mass
163.14 g/mol
Exact mass
163.0382 Da
logP
0.66Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
2 / 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
78316-08-2
SMILES
C1=CN=C2C(=C1C(=O)O)NC=N2
InChIKey
CEZJOKOKGRAPMR-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O2/c11-7(12)4-1-2-8-6-5(4)9-3-10-6/h1-3H,(H,11,12)(H,8,9,10)

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Work with 3H-Imidazo[4,5-B]pyridine-7-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

1H-Pyrrolo[2,3-B]pyridine-4-carboxylic acid479553-01-050 % similar 1H-Benzoimidazole-4-carboxylic acid46006-36-446 % similar Imidazole-4,5-dicarboxylic acid570-22-946 % similar 7-Chloro-1H-imidazo(4,5-b)pyridine6980-11-646 % similar Benzimidazole-5,6-dicarboxylic acid10351-75-445 % similar 2,3-Dichloropyridine-4-carboxylic acid184416-84-045 % similar 4-Quinolinecarboxylic acid486-74-845 % similar 2,3-Difluoropyridine-4-carboxylic acid851386-31-745 % similar

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

Same formula

5-Nitro-1H-pyrrolo[2,3-B]pyridine101083-92-5 1H-Pyrazolo[3,4-B]pyridine-3-carboxylicacid(9ci)116855-08-4 Imidazo(1,2-b)pyridazine-2-carboxylic acid160911-42-2 2-Cyano-4-nitroaniline17420-30-3 3-Nitro-7-azaindole23709-47-9 Benzotriazole-5-carboxylic acid23814-12-2 6-Nitroimidazo[1,2-A]pyridine25045-82-3 Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid25940-35-6

Elsewhere

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