β-Oxo-2-pyridinepropanenitrile

C₈H₆N₂OCAS 54123-21-6146.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆N₂O
Molar mass: 146.15 g/mol
Exact mass: 146.0480 Da
Melting point: 93–94 °C
logP: 1.18Crippen estimate
Polar surface area: 53.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

54123-21-6

SMILES

N#CCC(=O)c1ccccn1

InChIKey

POACVIKYJGGGPA-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O/c9-5-4-8(11)7-3-1-2-6-10-7/h1-3,6H,4H2

Weigh it out

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

Names and synonyms

6 names

2-Pyridinepropanenitrile, β-oxo-
2-Pyridinepropionitrile, β-oxo-
3-Oxo-3-(2-pyridinyl)propanenitrile
3-Oxo-3-(pyridin-2-yl)propionitrile
3-Oxo-3-(2-pyridyl)propanenitrile
2-(Pyridin-2-carbonyl)acetonitrile

Work with β-Oxo-2-pyridinepropanenitrile

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

Same formula

Imidazo[1,2-A]pyridine-6-carbaldehyde116355-16-9 Imidazo(1,2-a)pyridine-2-carbaldehyde118000-43-4 1(2H)-Phthalazinone119-39-1 2(1H)-Quinoxalinone1196-57-2 2-Cyanobenzamide17174-98-0 4-Cyanobenzamide3034-34-2 1H-Benzimidazole-2-carboxaldehyde3314-30-5 Quinazolinone491-36-1

Elsewhere

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