3-(2-fluoro-6-methoxyphenyl)-4-methylpyridine

• ChemBase ID: 430485
• Molecular Formular: C13H12FNO
• Molecular Mass: 217.2388832
• Monoisotopic Mass: 217.09029223
• SMILES: c1(c2c(ccnc2)C)c(F)cccc1OC
• Canonical SMILES: COc1cccc(c1c1cnccc1C)F
• InChI: InChI=1S/C13H12FNO/c1-9-6-7-15-8-10(9)13-11(14)4-3-5-12(13)16-2/h3-8H,1-2H3
• InChIKey: QGOHHQSERKUCAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluoro-6-methoxyphenyl)-4-methylpyridine
• IUPAC Traditional name: 3-(2-fluoro-6-methoxyphenyl)-4-methylpyridine
• Synonyms: 3-(2-fluoro-6-methoxyphenyl)-4-methylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.726687
• LogD (pH = 7.4): 2.8983936
• Log P: 2.9012508
• Molar Refractivity: 60.7581 cm^3
• Polarizability: 24.31663 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.41
• LOG S: -2.85
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2