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

• ChemBase ID: 797320
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: C(O)c1cncc(c1)c1occc1
• Canonical SMILES: OCc1cncc(c1)c1ccco1
• InChI: InChI=1S/C10H9NO2/c12-7-8-4-9(6-11-5-8)10-2-1-3-13-10/h1-6,12H,7H2
• InChIKey: NMFJKAUCYZMNHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(furan-2-yl)pyridin-3-yl]methanol
• IUPAC Traditional name: [5-(furan-2-yl)pyridin-3-yl]methanol
• Synonyms: (5-(Furan-2-yl)pyridin-3-yl)Methanol

Database IDs

• CAS Number: 887973-98-0

CALCULATED PROPERTIES

• Acid pKa: 14.568708
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.688279
• LogD (pH = 7.4): 0.6956012
• Log P: 0.69569564
• Molar Refractivity: 48.2441 cm^3
• Polarizability: 19.707209 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%