1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid

C7H5N3O2CAS 952182-02-4163.14 g/mol

Open in Covalent MOL file
OHONNHN
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
952182-02-4
SMILES
O=C(O)c1cnc2[nH]ncc2c1
InChIKey
DRCBQOFOFJGWGA-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O2/c11-7(12)5-1-4-3-9-10-6(4)8-2-5/h1-3H,(H,11,12)(H,8,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • 2H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid
  • 1H-Pyrazolo(3,4-b)pyridine-5-carboxylic acid

Work with 1H-Pyrazolo[3,4-b]pyridine-5-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-Indazole-6-carboxylic acid704-91-655 % similar Quinoline-3-carboxylic acid6480-68-853 % similar Dinicotinic acid499-81-048 % similar Quinazoline-6-carboxylic acid676326-53-746 % similar 5,6-Dichloronicotinic acid41667-95-246 % similar 2-Chloropyrimidine-5-carboxylic acid374068-01-646 % similar 6,6'-Dithiodinicotinic acid15658-35-245 % similar [2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-844 % 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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