chempirical

1H-Pyrazolo[3,4-B]pyridine-3-carbonitrile

C7H4N4CAS 956010-88-1144.14 g/mol

Open in Covalent MOL file
NHNNN
Nitrile

Properties

Molecular formula
C7H4N4
Molar mass
144.14 g/mol
Exact mass
144.0436 Da
logP
0.83Crippen estimate
Polar surface area
65.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

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
956010-88-1
SMILES
C1=CC2=C(NN=C2N=C1)C#N
InChIKey
PVFRYQNNVUSEJD-UHFFFAOYSA-N
InChI
InChI=1S/C7H4N4/c8-4-6-5-2-1-3-9-7(5)11-10-6/h1-3H,(H,9,10,11)

Weigh it out

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

Work with 1H-Pyrazolo[3,4-B]pyridine-3-carbonitrile

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-Pyrazolo[3,4-B]pyridine,3-methyl-(9ci)116834-96-951 % similar 3-Iodo-1H-pyrazolo(3,4-b)pyridine117007-52-051 % similar 1H-Pyrazolo[3,4-B]pyridin-3-amine6752-16-551 % similar 3-Bromo-1H-pyrazolo(3,4-b)pyridine68618-36-051 % similar 1H-Pyrazolo[3,4-B]pyridine-3-carboxylicacid(9ci)116855-08-444 % similar 7-Azaindole-3-carbonitrile4414-89-544 % similar 1H-Indazole-3-carbonitrile50264-88-542 % similar 2-Methylpyridine-3-carbonitrile1721-23-941 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook