Isonicotinamidine, N-(m-fluorophenyl)-

HCID 32005

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Basic information

CAS: 23565-11-9
Standard SMILES: NC(=Nc1cccc(F)c1)c1ccncc1
InChIKey: PSASAOMEXWAJEI-UHFFFAOYSA-N
Molecular formula: C12H10FN3
Average molar mass: 215.23 g/mol
Monoisotopic mass: 215.08587549

Names & identifiers

Preferred name: Isonicotinamidine, N-(m-fluorophenyl)-
IUPAC: N'-(3-fluorophenyl)pyridine-4-carboximidamide
English name: N-(m-Fluorophenyl)isonicotinamidine
Molecular formula: C12H10FN3
Molecular weight: 215.23

Names & synonyms

N-(m-Fluorophenyl)isonicotinamidine23565-11-9ISONICOTINAMIDINE, N-(m-FLUOROPHENYL)-BRN 04761144-Pyridinecarboximidamide, N-(3-fluorophenyl)-DTXSID50178187RefChem:349658DTXCID80100678N'-(3-fluorophenyl)pyridine-4-carboximidamide

Database identifiers

CAS: 23565-11-9
PubChem CID: 32005
DTXSID: DTXSID50178187
Nikkaji: J68.794D

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 51.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 249

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