2-(2-fluoro-3-methoxyphenyl)-6-methylpyridine

• ChemBase ID: 492188
• Molecular Formular: C13H12FNO
• Molecular Mass: 217.2388832
• Monoisotopic Mass: 217.09029223
• SMILES: c1(c2nc(ccc2)C)c(c(OC)ccc1)F
• Canonical SMILES: COc1cccc(c1F)c1cccc(n1)C
• InChI: InChI=1S/C13H12FNO/c1-9-5-3-7-11(15-9)10-6-4-8-12(16-2)13(10)14/h3-8H,1-2H3
• InChIKey: PDBYQZGHPJNKLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluoro-3-methoxyphenyl)-6-methylpyridine
• IUPAC Traditional name: 2-(2-fluoro-3-methoxyphenyl)-6-methylpyridine
• Synonyms: 2-(2-fluoro-3-methoxyphenyl)-6-methylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8886242
• LogD (pH = 7.4): 2.904839
• Log P: 2.9050498
• Molar Refractivity: 59.9364 cm^3
• Polarizability: 24.318464 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: 3.28
• LOG S: -3.59
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2