3-(5-chloro-2-methoxyphenyl)-5-methoxypyridine

• ChemBase ID: 833157
• Molecular Formular: C13H12ClNO2
• Molecular Mass: 249.69288
• Monoisotopic Mass: 249.05565631
• SMILES: c1(c2cc(cnc2)OC)c(ccc(c1)Cl)OC
• Canonical SMILES: COc1cncc(c1)c1cc(Cl)ccc1OC
• InChI: InChI=1S/C13H12ClNO2/c1-16-11-5-9(7-15-8-11)12-6-10(14)3-4-13(12)17-2/h3-8H,1-2H3
• InChIKey: FCBRZWIBMZAWIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-chloro-2-methoxyphenyl)-5-methoxypyridine
• IUPAC Traditional name: 3-(5-chloro-2-methoxyphenyl)-5-methoxypyridine
• Synonyms: 3-(5-chloro-2-methoxyphenyl)-5-methoxypyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6698527
• LogD (pH = 7.4): 2.6912198
• Log P: 2.691501
• Molar Refractivity: 66.7685 cm^3
• Polarizability: 27.272413 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.2
• LOG S: -3.76
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 3