3-Amino-4-cyanopyridine

C₆H₅N₃CAS 78790-79-1119.13 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

78790-79-1

SMILES

C1=CN=CC(=C1C#N)N

InChIKey

PEZNQSQPDQLHPN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Aminopyridine-4-carbonitrile

Work with 3-Amino-4-cyanopyridine

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-Fluoro-4-pyridinecarbonitrile113770-88-055 % similar 3-Bromo-4-cyanopyridine13958-98-055 % similar 3-Chloro-4-cyanopyridine68325-15-555 % similar 2-Aminobenzonitrile1885-29-654 % similar 4-Bromo-3-pyridinecarbonitrile154237-70-450 % similar 4-Methyl-3-pyridinecarbonitrile5444-01-950 % similar 4-Chloro-nicotinonitrile89284-61-750 % similar 4,5-Diamino-1,2-benzenedicarbonitrile129365-93-146 % 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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