6-(2-methoxyphenyl)pyridin-3-ol

• ChemBase ID: 290795
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: Oc1ccc(c2ccccc2OC)nc1
• Canonical SMILES: COc1ccccc1c1ccc(cn1)O
• InChI: InChI=1S/C12H11NO2/c1-15-12-5-3-2-4-10(12)11-7-6-9(14)8-13-11/h2-8,14H,1H3
• InChIKey: RSWPDQFILREJAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-methoxyphenyl)pyridin-3-ol
• IUPAC Traditional name: 6-(2-methoxyphenyl)pyridin-3-ol
• Synonyms: 6-(2-Methoxyphenyl)pyridin-3-ol

Database IDs

• CAS Number: 1255638-36-8
• PubChem SID: 180676326
• PubChem CID: 53229203

CALCULATED PROPERTIES

• Acid pKa: 9.183715
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.321509
• LogD (pH = 7.4): 2.3203738
• Log P: 2.3274126
• Molar Refractivity: 57.1094 cm^3
• Polarizability: 23.527454 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%