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

• ChemBase ID: 796328
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: C(O)c1cncc(c1)c1cocc1
• Canonical SMILES: OCc1cncc(c1)c1cocc1
• InChI: InChI=1S/C10H9NO2/c12-6-8-3-10(5-11-4-8)9-1-2-13-7-9/h1-5,7,12H,6H2
• InChIKey: OYGGYVKPHBDOCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1346687-20-4

CALCULATED PROPERTIES

• Log P: 0.7756945
• Molar Refractivity: 48.3666 cm^3
• Polarizability: 19.703707 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 14.627459
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.75738424
• LogD (pH = 7.4): 0.7754579

PROPERTIES

Product Information

• Purity: 97%