[6-(furan-2-yl)pyridin-3-yl]methanol

• ChemBase ID: 811675
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: C(O)c1cnc(cc1)c1occc1
• Canonical SMILES: OCc1ccc(nc1)c1ccco1
• InChI: InChI=1S/C10H9NO2/c12-7-8-3-4-9(11-6-8)10-2-1-5-13-10/h1-6,12H,7H2
• InChIKey: FKFJSLDVCAWALF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(furan-2-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [6-(furan-2-yl)pyridin-3-yl]methanol
• Synonyms: (6-(FURAN-2-YL)PYRIDIN-3-YL)METHANOL

CALCULATED PROPERTIES

• Acid pKa: 14.638018
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0813837
• LogD (pH = 7.4): 1.0815439
• Log P: 1.081546
• Molar Refractivity: 47.8721 cm^3
• Polarizability: 19.711634 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%