chempirical

3-Amino-2-pyridinecarbonitrile

C6H5N3CAS 42242-11-5119.13 g/mol

Open in Covalent MOL file
NNNH2
NitrilePrimary amine

Properties

Molecular formula
C6H5N3
Molar mass
119.13 g/mol
Exact mass
119.0483 Da
logP
0.54Crippen estimate
Polar surface area
62.7 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
42242-11-5
SMILES
C1=CC(=C(N=C1)C#N)N
InChIKey
KMHCTFSFWQRZTR-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N3/c7-4-6-5(8)2-1-3-9-6/h1-3H,8H2

Weigh it out

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

Names and synonyms

1 names
  • 3-Aminopyridine-2-carbonitrile

Work with 3-Amino-2-pyridinecarbonitrile

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

Pyridine-2,3-dicarbonitrile17132-78-459 % similar 3-Bromopyridine-2-carbonitrile55758-02-657 % similar 3-Methyl-2-pyridinecarbonitrile20970-75-655 % similar 3-Chloropyridine-2-carbonitrile38180-46-055 % similar 3-Iodopyridine-2-carbonitrile827616-52-455 % similar 3-Hydroxy-2-pyridinecarbonitrile932-35-455 % similar 2-Aminobenzonitrile1885-29-654 % similar 2,3-Dicyanopyrazine13481-25-950 % similar

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

Same formula

2-Amino-3-cyanopyridine24517-64-4 1H-Pyrazolo[3,4-c]pyridine271-47-6 1H-Pyrazolo[4,3-C]pyridine271-52-3 1H-Pyrazolo(3,4-b)pyridine271-73-8 Pyrrolopyrimidine272-50-4 1H-Pyrazolo(4,3-b)pyridine272-52-6 5-Azabenzimidazole272-97-9 Imidazo[4,5-b]pyridine273-21-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook