(6-methoxypyridin-2-yl)methanol

• ChemBase ID: 21450
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: c1c(nc(cc1)CO)OC
• Canonical SMILES: OCc1cccc(n1)OC
• InChI: InChI=1S/C7H9NO2/c1-10-7-4-2-3-6(5-9)8-7/h2-4,9H,5H2,1H3
• InChIKey: OPXGBIUWGAUTER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methoxypyridin-2-yl)methanol
• IUPAC Traditional name: (6-methoxypyridin-2-yl)methanol
• Synonyms: (6-Methoxy-pyridin-2-yl)-methanol; (6-methoxypyridin-2-yl)methanol; (6-Methoxy-pyridin-2-yl)-methanol

Database IDs

• CAS Number: 63071-12-5
• MDL Number: MFCD08235128
• PubChem SID: 160984757
• PubChem CID: 12325389

CALCULATED PROPERTIES

• Acid pKa: 14.214718
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.50602055
• LogD (pH = 7.4): 0.5064759
• Log P: 0.50648177
• Molar Refractivity: 36.9715 cm^3
• Polarizability: 14.417505 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.877

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C7H9NO2

DETAILS

Sigma Aldrich - ADE000358

Other Notes
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