2-methoxy-5-(5-methylpyridin-2-yl)pyridine

• ChemBase ID: 579005
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: n1c(c2cnc(cc2)OC)ccc(c1)C
• Canonical SMILES: COc1ccc(cn1)c1ccc(cn1)C
• InChI: InChI=1S/C12H12N2O/c1-9-3-5-11(13-7-9)10-4-6-12(15-2)14-8-10/h3-8H,1-2H3
• InChIKey: KYGJCOSBJBMWEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-(5-methylpyridin-2-yl)pyridine
• IUPAC Traditional name: 2-methoxy-5-(5-methylpyridin-2-yl)pyridine
• Synonyms: 6'-methoxy-5-methyl-2,3'-bipyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.475599
• LogD (pH = 7.4): 2.5205772
• Log P: 2.5211842
• Molar Refractivity: 58.3263 cm^3
• Polarizability: 23.801952 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.3
• LOG S: -2.63
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2