3-(6-methoxypyridin-3-yl)pyridin-2-ol

• ChemBase ID: 573344
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: c1(c(c2cnc(cc2)OC)cccn1)O
• Canonical SMILES: COc1ccc(cn1)c1cccnc1O
• InChI: InChI=1S/C11H10N2O2/c1-15-10-5-4-8(7-13-10)9-3-2-6-12-11(9)14/h2-7H,1H3,(H,12,14)
• InChIKey: WUOXTUXPSMCIDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(6-methoxypyridin-3-yl)pyridin-2-ol
• IUPAC Traditional name: 3-(6-methoxypyridin-3-yl)pyridin-2-ol
• Synonyms: 6'-methoxy-3,3'-bipyridin-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.457412
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9123893
• LogD (pH = 7.4): 1.9127619
• Log P: 1.9128048
• Molar Refractivity: 55.9515 cm^3
• Polarizability: 22.614052 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.82
• LOG S: -2.23
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 2