(4-methoxypyridin-2-yl)methanol

• ChemBase ID: 16344
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: C(O)c1cc(ccn1)OC
• Canonical SMILES: COc1ccnc(c1)CO
• InChI: InChI=1S/C7H9NO2/c1-10-7-2-3-8-6(4-7)5-9/h2-4,9H,5H2,1H3
• InChIKey: GBMRUSRMPOUVEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxypyridin-2-yl)methanol
• IUPAC Traditional name: (4-methoxypyridin-2-yl)methanol
• Synonyms: (4-Methoxy-pyridin-2-yl)-methanol; (4-methoxypyridin-2-yl)methanol; (4-Methoxy-pyridin-2-yl)-methanol

Database IDs

• CAS Number: 16665-38-6
• MDL Number: MFCD07774100
• PubChem SID: 160979651
• PubChem CID: 10820596

CALCULATED PROPERTIES

• Acid pKa: 14.106978
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.73528093
• LogD (pH = 7.4): -0.10894124
• Log P: -0.087975755
• Molar Refractivity: 36.658 cm^3
• Polarizability: 14.411449 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69-70°C; 70 - 72°C
• Hydrophobicity(logP): 0.477

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

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

DETAILS

Sigma Aldrich - ADE000337

Other Notes
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