4-Aminopyridine-2-carbonitrile

C₆H₅N₃CAS 98139-15-2119.13 g/mol

Open in Covalent MOL file

Nitrile Primary 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 Å²
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

98139-15-2

SMILES

C1=CN=C(C=C1N)C#N

InChIKey

GMKRESMCPMIWGU-UHFFFAOYSA-N

InChI

InChI=1S/C6H5N3/c7-4-6-3-5(8)1-2-9-6/h1-3H,(H2,8,9)

Weigh it out

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

Work with 4-Aminopyridine-2-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

2,4-Pyridinedicarbonitrile29181-50-859 % similar 4-Methyl-2-pyridinecarbonitrile1620-76-455 % similar 4-Chloro-2-cyanopyridine19235-89-355 % similar 4-Bromo-2-pyridinecarbonitrile62150-45-255 % similar 3-Amino-6-cyanopyridine55338-73-352 % similar 4-Formyl-2-pyridinecarbonitrile131747-70-150 % similar 4,4'-Diamino-2,2'-bipyridine18511-69-850 % similar 2-Cyanopyridine100-70-948 % 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

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