3-(2-fluoro-6-methoxyphenyl)-5-methylpyridin-2-amine

• ChemBase ID: 832057
• Molecular Formular: C13H13FN2O
• Molecular Mass: 232.2535232
• Monoisotopic Mass: 232.10119127
• SMILES: c1(c2c(F)cccc2OC)c(ncc(c1)C)N
• Canonical SMILES: COc1cccc(c1c1cc(C)cnc1N)F
• InChI: InChI=1S/C13H13FN2O/c1-8-6-9(13(15)16-7-8)12-10(14)4-3-5-11(12)17-2/h3-7H,1-2H3,(H2,15,16)
• InChIKey: ZZZQQDMUHZRHIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluoro-6-methoxyphenyl)-5-methylpyridin-2-amine
• IUPAC Traditional name: 3-(2-fluoro-6-methoxyphenyl)-5-methylpyridin-2-amine
• Synonyms: 3-(2-fluoro-6-methoxyphenyl)-5-methylpyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.680231
• LogD (pH = 7.4): 2.6047714
• Log P: 2.6667824
• Molar Refractivity: 65.772 cm^3
• Polarizability: 25.451319 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.39
• LOG S: -2.94
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2