5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine

• ChemBase ID: 525416
• Molecular Formular: C12H9F2NO
• Molecular Mass: 221.2027664
• Monoisotopic Mass: 221.06522035
• SMILES: c1(c(c(OC)ccc1)F)c1ncc(cc1)F
• Canonical SMILES: COc1cccc(c1F)c1ccc(cn1)F
• InChI: InChI=1S/C12H9F2NO/c1-16-11-4-2-3-9(12(11)14)10-6-5-8(13)7-15-10/h2-7H,1H3
• InChIKey: HYAPQSFHQSIACW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
• IUPAC Traditional name: 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
• Synonyms: 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9163728
• LogD (pH = 7.4): 2.9163816
• Log P: 2.9163816
• Molar Refractivity: 55.5613 cm^3
• Polarizability: 22.217266 Å^3
• Polar Surface Area: 22.12 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: 3.01
• LOG S: -3.38
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2