(5-methoxypyridin-3-yl)methanol

• ChemBase ID: 32454
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: c1(cncc(c1)CO)OC
• Canonical SMILES: OCc1cncc(c1)OC
• InChI: InChI=1S/C7H9NO2/c1-10-7-2-6(5-9)3-8-4-7/h2-4,9H,5H2,1H3
• InChIKey: VKRWRIKWXFAPEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methoxypyridin-3-yl)methanol
• IUPAC Traditional name: (5-methoxypyridin-3-yl)methanol
• Synonyms: (5-Methoxypyridin-3-yl)methanol; (5-Methoxypyridin-3-yl)methanol

Database IDs

• CAS Number: 937202-11-4
• MDL Number: MFCD11052844
• PubChem SID: 160995761
• PubChem CID: 45361739

CALCULATED PROPERTIES

• Acid pKa: 14.614768
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.19961645
• LogD (pH = 7.4): -0.16984405
• Log P: -0.16944765
• Molar Refractivity: 37.1802 cm^3
• Polarizability: 14.413637 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

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

DETAILS

Sigma Aldrich - ADE000457

Other Notes
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