chempirical

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

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

1 names
  • 2H-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

3-Quinolinecarboxylic acid6480-68-853 % similar Dinicotinic acid499-81-048 % similar 5,6-Dichloronicotinic acid41667-95-246 % similar 6,6′-Dithiodinicotinic acid15658-35-245 % similar [2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-844 % similar Pyrazole-4-carboxylic acid37718-11-944 % similar 4-Bromo-1H-indazole-6-carboxylic acid885523-43-344 % similar 2,6-Naphthalenedicarboxylic acid1141-38-444 % 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 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-2 4-Nitro-1H-indazole2942-40-7 7-Nitroindazole2942-42-9 5-Nitroindazole5401-94-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook