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

• ChemBase ID: 87983
• Molecular Formular: C10H9NO3
• Molecular Mass: 191.18336
• Monoisotopic Mass: 191.05824315
• SMILES: o1c(ccc1Oc1cccnc1)CO
• Canonical SMILES: OCc1ccc(o1)Oc1cccnc1
• InChI: InChI=1S/C10H9NO3/c12-7-9-3-4-10(14-9)13-8-2-1-5-11-6-8/h1-6,12H,7H2
• InChIKey: REBRKTCCWUSAOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(pyridin-3-yloxy)furan-2-yl]methanol
• IUPAC Traditional name: [5-(pyridin-3-yloxy)furan-2-yl]methanol
• Synonyms: [5-(pyrid-3-yloxy)-2-furyl]methanol; [5-(Pyrid-3-yloxy)-2-furyl]methanol 97%

Database IDs

• CAS Number: 857284-15-2
• MDL Number: MFCD07772852
• PubChem SID: 162075023
• PubChem CID: 7164633

CALCULATED PROPERTIES

• Acid pKa: 13.71637
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5997566
• LogD (pH = 7.4): 0.63753927
• Log P: 0.63804847
• Molar Refractivity: 48.602 cm^3
• Polarizability: 19.10874 Å^3
• Polar Surface Area: 55.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%