2-(4-chloro-3-fluorophenyl)-3-methoxypyridin-4-amine

• ChemBase ID: 862374
• Molecular Formular: C12H10ClFN2O
• Molecular Mass: 252.6720032
• Monoisotopic Mass: 252.04656885
• SMILES: c1(c(c(N)ccn1)OC)c1cc(c(cc1)Cl)F
• Canonical SMILES: COc1c(N)ccnc1c1ccc(c(c1)F)Cl
• InChI: InChI=1S/C12H10ClFN2O/c1-17-12-10(15)4-5-16-11(12)7-2-3-8(13)9(14)6-7/h2-6H,1H3,(H2,15,16)
• InChIKey: YHHSYQUDEBUFIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chloro-3-fluorophenyl)-3-methoxypyridin-4-amine
• IUPAC Traditional name: 2-(4-chloro-3-fluorophenyl)-3-methoxypyridin-4-amine
• Synonyms: 2-(4-chloro-3-fluorophenyl)-3-methoxypyridin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1175216
• LogD (pH = 7.4): 1.7289072
• Log P: 2.5487986
• Molar Refractivity: 64.8501 cm^3
• Polarizability: 25.591284 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.93
• LOG S: -3.55
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2