5-Ethyl-4-propan-2-ylpyridine-2-carbonitrile

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Basic information

CAS: 99840-50-3
Standard SMILES: CCc1cnc(C#N)cc1C(C)C
InChIKey: OUTHSWKTBHKDGZ-UHFFFAOYSA-N
Molecular formula: C11H14N2
Average molar mass: 174.24 g/mol

Names & identifiers

Preferred name: 5-Ethyl-4-propan-2-ylpyridine-2-carbonitrile
IUPAC: 5-ethyl-4-propan-2-ylpyridine-2-carbonitrile
English name: Picolinonitrile, 5-ethyl-4-isopropyl- (6CI)
Molecular formula: C11H14N2
Molecular weight: 174.24

Names & synonyms

SCHEMBL255558155-ethyl-4-isopropyl-pyridine-2-carbonitrilePicolinonitrile, 5-ethyl-4-isopropyl- (6CI)2-Pyridinecarbonitrile, 5-ethyl-4-(1-methylethyl)-

Database identifiers

CAS: 99840-50-3

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 36.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 201

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Compound notes

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