1H-Pyrazolo[3,4-B]pyridine-3-carboxylicacid(9ci)

C7H5N3O2CAS 116855-08-4163.14 g/mol

Open in Covalent MOL file
NHNNOOH
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

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
116855-08-4
SMILES
C1=CC2=C(NN=C2N=C1)C(=O)O
InChIKey
UFKAACYLUOQSFH-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O2/c11-7(12)5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H,11,12)(H,8,9,10)

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Names and synonyms

1 names
  • 1H-Pyrazolo[3,4-b]pyridine-3-carboxylic acid

Work with 1H-Pyrazolo[3,4-B]pyridine-3-carboxylicacid(9ci)

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

7-Chloro-1H-indazole-3-carboxylic acid129295-32-554 % similar 1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid156270-06-348 % similar 1H-Pyrazolo[3,4-B]pyridine,3-methyl-(9ci)116834-96-947 % similar 3-Iodo-1H-pyrazolo(3,4-b)pyridine117007-52-047 % similar 1H-Pyrazolo[3,4-B]pyridin-3-amine6752-16-547 % similar 3-Bromo-1H-pyrazolo(3,4-b)pyridine68618-36-047 % similar Quinoline-5-carboxylic acid7250-53-546 % similar 2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-646 % 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 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 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-2

Elsewhere

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