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

• ChemBase ID: 325591
• Molecular Formular: C12H10FNO
• Molecular Mass: 203.2123032
• Monoisotopic Mass: 203.07464217
• SMILES: c1(c2cc(OC)ccc2)ncccc1F
• Canonical SMILES: COc1cccc(c1)c1ncccc1F
• InChI: InChI=1S/C12H10FNO/c1-15-10-5-2-4-9(8-10)12-11(13)6-3-7-14-12/h2-8H,1H3
• InChIKey: LETWWINDWBLYOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7732568
• LogD (pH = 7.4): 2.7736745
• Log P: 2.7736797
• Molar Refractivity: 55.3449 cm^3
• Polarizability: 22.551987 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: 2.99
• LOG S: -3.23
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2