{5-fluorofuro[2,3-b]pyridin-2-yl}methanol

• ChemBase ID: 44980
• Molecular Formular: C8H6FNO2
• Molecular Mass: 167.1371432
• Monoisotopic Mass: 167.03825666
• SMILES: c1(cnc2c(c1)cc(o2)CO)F
• Canonical SMILES: OCc1cc2c(o1)ncc(c2)F
• InChI: InChI=1S/C8H6FNO2/c9-6-1-5-2-7(4-11)12-8(5)10-3-6/h1-3,11H,4H2
• InChIKey: BTLVIXKYMXGFPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {5-fluorofuro[2,3-b]pyridin-2-yl}methanol
• IUPAC Traditional name: {5-fluorofuro[2,3-b]pyridin-2-yl}methanol
• Synonyms: (5-Fluorofuro[2,3-b]pyridin-2-yl)methanol; (5-Fluorofuro[2,3-b]pyridin-2-yl)methanol

Database IDs

• CAS Number: 1186310-91-7
• MDL Number: MFCD12922805
• PubChem SID: 162049743
• PubChem CID: 46737945

CALCULATED PROPERTIES

• Acid pKa: 13.639587
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.57751215
• LogD (pH = 7.4): 0.5775119
• Log P: 0.57751215
• Molar Refractivity: 39.6046 cm^3
• Polarizability: 15.341001 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): C8H6FNO2

DETAILS

Sigma Aldrich - ADE001187

Other Notes
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