N-cyano-N'-[4 (trifluoromethyl)benzyl]-3-pyridinecarboximidamide

HCID 19734550

Notes Reactions

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Basic information

Standard SMILES: N#CNC(=NCc1ccc(C(F)(F)F)cc1)c1cccnc1
InChIKey: SZVXRVCVSUXLSO-UHFFFAOYSA-N
Molecular formula: C15H11F3N4
Average molar mass: 304.27 g/mol

Names & identifiers

Preferred name: N-cyano-N'-[4 (trifluoromethyl)benzyl]-3-pyridinecarboximidamide
IUPAC: N-cyano-N'-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboximidamide

Names & synonyms

N-cyano-N'-[4 (trifluoromethyl)benzyl]-3-pyridinecarboximidamideSCHEMBL9209161SCHEMBL9209165SCHEMBL9209173N-cyano-N'-[4-(trifluoromethyl)benzyl]-3-pyridinecarboximidamide

Database identifiers

PubChem CID: 19734550

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 61.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 430

Related reactions

4 records

New reaction record

HRID 315556As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 327103As productuspto-grants-1993_12

HRID 374152As productuspto-grants-1992_11

HRID 1588525As productuspto-grants-1993_06

Compound notes

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