5-Amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

HCID 247448

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Basic information

CAS: 651-78-5
Standard SMILES: Cc1nc(Cl)c(C#N)c(C(F)(F)F)c1N
InChIKey: FTPYCKVEHUBYBV-UHFFFAOYSA-N
Molecular formula: C8H5ClF3N3
Average molar mass: 235.59 g/mol
Monoisotopic mass: 235.0124094

Names & identifiers

Preferred name: 5-Amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
IUPAC: 5-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Names & synonyms

651-78-55-amino-2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile5-Amino-2-chloro-6-methyl-4-(trifluoromethyl)nicotinonitrileNSC61976MFCD26383828DTXSID00289570NSC-61976AKOS025212001

Database identifiers

CAS: 651-78-5
PubChem CID: 247448
DTXSID: DTXSID00289570

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 62.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 285

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