6-(2-chloro-6-fluorophenyl)-N,N-dimethylpyridine-3-carboxamide

• ChemBase ID: 402552
• Molecular Formular: C14H12ClFN2O
• Molecular Mass: 278.7092832
• Monoisotopic Mass: 278.06221891
• SMILES: C(=O)(c1cnc(c2c(Cl)cccc2F)cc1)N(C)C
• Canonical SMILES: O=C(c1ccc(nc1)c1c(F)cccc1Cl)N(C)C
• InChI: InChI=1S/C14H12ClFN2O/c1-18(2)14(19)9-6-7-12(17-8-9)13-10(15)4-3-5-11(13)16/h3-8H,1-2H3
• InChIKey: LFFPUFGOQRDKOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-chloro-6-fluorophenyl)-N,N-dimethylpyridine-3-carboxamide
• IUPAC Traditional name: 6-(2-chloro-6-fluorophenyl)-N,N-dimethylpyridine-3-carboxamide
• Synonyms: 6-(2-chloro-6-fluorophenyl)-N,N-dimethylnicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8333547
• LogD (pH = 7.4): 2.8333876
• Log P: 2.833388
• Molar Refractivity: 72.5583 cm^3
• Polarizability: 28.442598 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.6
• LOG S: -2.6
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2