furo[3,2-b]pyridin-6-ol

• ChemBase ID: 44945
• Molecular Formular: C7H5NO2
• Molecular Mass: 135.1201
• Monoisotopic Mass: 135.03202841
• SMILES: c1(cnc2c(c1)occ2)O
• Canonical SMILES: Oc1cnc2c(c1)occ2
• InChI: InChI=1S/C7H5NO2/c9-5-3-7-6(8-4-5)1-2-10-7/h1-4,9H
• InChIKey: OLHWCNQIOPVTNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furo[3,2-b]pyridin-6-ol
• IUPAC Traditional name: furo[3,2-b]pyridin-6-ol
• Synonyms: Furo[3,2-b]pyridin-6-ol; Furo[3,2-b]pyridin-6-ol

Database IDs

• CAS Number: 1171920-19-6
• MDL Number: MFCD12401654
• PubChem SID: 162049708
• PubChem CID: 46737910

CALCULATED PROPERTIES

• Acid pKa: 8.958
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.99462336
• LogD (pH = 7.4): 0.98532933
• Log P: 0.9969818
• Molar Refractivity: 34.3511 cm^3
• Polarizability: 14.418014 Å^3
• Polar Surface Area: 46.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C7H5NO2

DETAILS

Sigma Aldrich - ADE001146

Other Notes
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