1-[(6-Chloropyridin-3-yl)methyl]-6-methyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

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Basic information

CAS: 865660-40-8
Standard SMILES: Cc1cc(C(F)(F)F)c(C#N)c(=O)n1Cc1ccc(Cl)nc1
InChIKey: PWQZXFOXNASUOU-UHFFFAOYSA-N
Molecular formula: C14H9ClF3N3O
Average molar mass: 327.69 g/mol
Monoisotopic mass: 327.0386241

Names & identifiers

Preferred name: 1-[(6-Chloropyridin-3-yl)methyl]-6-methyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
IUPAC: 1-[(6-chloro-3-pyridinyl)methyl]-6-methyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

Names & synonyms

865660-40-81-[(6-chloropyridin-3-yl)methyl]-6-methyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile1-((6-Chloropyridin-3-yl)methyl)-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile1-[(6-chloropyridin-3-yl)methyl]-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrileDTXSID801112145AKOS0050906731-[(6-chloro-3-pyridinyl)methyl]-6-methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile3X-08831-[(6-Chloro-3-pyridinyl)methyl]-1,2-dihydro-6-methyl-2-oxo-4-(trifluoromethyl)-3-pyridinecarbonitrile

Database identifiers

CAS: 865660-40-8
PubChem CID: 1475151
DTXSID: DTXSID801112145

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 57 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 588

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Compound notes

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