chempirical

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

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-Pyrazolo[3,4-B]pyridine,3-methyl-(9ci)116834-96-947 % similar 3-Iodo-1H-pyrazolo(3,4-b)pyridine117007-52-047 % similar Indazole-3-carboxylic acid4498-67-344 % similar Quinolinic acid89-00-944 % similar 2-Hydroxynicotinic acid609-71-243 % similar 3-Hydroxypicolinic acid874-24-843 % similar Picolinic acid98-98-642 % 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 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 4-Amino-3-nitrobenzonitrile6393-40-4 4-Azidobenzoic acid6427-66-3

Elsewhere

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