furo[3,2-b]pyridin-2-ylmethanol

• ChemBase ID: 33028
• Molecular Formular: C8H7NO2
• Molecular Mass: 149.14668
• Monoisotopic Mass: 149.04767847
• SMILES: c1cnc2c(c1)oc(c2)CO
• Canonical SMILES: OCc1cc2c(o1)cccn2
• InChI: InChI=1S/C8H7NO2/c10-5-6-4-7-8(11-6)2-1-3-9-7/h1-4,10H,5H2
• InChIKey: OIMBQDHQXBDNFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furo[3,2-b]pyridin-2-ylmethanol
• IUPAC Traditional name: furo[3,2-b]pyridin-2-ylmethanol
• Synonyms: Furo[3,2-b]pyridin-2-ylmethanol; Furo[3,2-b]pyridin-2-ylmethanol

Database IDs

• CAS Number: 162537-61-3
• MDL Number: MFCD11857747
• PubChem SID: 160996335
• PubChem CID: 21113139

CALCULATED PROPERTIES

• Acid pKa: 13.612514
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.45213407
• LogD (pH = 7.4): 0.45318478
• Log P: 0.45319846
• Molar Refractivity: 39.0636 cm^3
• Polarizability: 16.270563 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C8H7NO2

DETAILS

Sigma Aldrich - ADE001139

Other Notes
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