2-[2-fluoro-6-(propan-2-yloxy)phenyl]pyridine-4-carboxamide

• ChemBase ID: 403298
• Molecular Formular: C15H15FN2O2
• Molecular Mass: 274.2902032
• Monoisotopic Mass: 274.11175595
• SMILES: c1(c2cc(C(=O)N)ccn2)c(OC(C)C)cccc1F
• Canonical SMILES: CC(Oc1cccc(c1c1nccc(c1)C(=O)N)F)C
• InChI: InChI=1S/C15H15FN2O2/c1-9(2)20-13-5-3-4-11(16)14(13)12-8-10(15(17)19)6-7-18-12/h3-9H,1-2H3,(H2,17,19)
• InChIKey: ZGSNUYOOJBBKLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-fluoro-6-(propan-2-yloxy)phenyl]pyridine-4-carboxamide
• IUPAC Traditional name: 2-(2-fluoro-6-isopropoxyphenyl)pyridine-4-carboxamide
• Synonyms: 2-(2-fluoro-6-isopropoxyphenyl)isonicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.874356
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3976839
• LogD (pH = 7.4): 2.397703
• Log P: 2.397703
• Molar Refractivity: 73.5907 cm^3
• Polarizability: 29.07254 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.72
• LOG S: -3.52
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 4