2-methoxy-5-methylpyridin-3-ol

• ChemBase ID: 51602
• Molecular Formular: C7H9NO2
• Molecular Mass: 139.15186
• Monoisotopic Mass: 139.06332853
• SMILES: c1(cnc(c(c1)O)OC)C
• Canonical SMILES: COc1ncc(cc1O)C
• InChI: InChI=1S/C7H9NO2/c1-5-3-6(9)7(10-2)8-4-5/h3-4,9H,1-2H3
• InChIKey: JRDKEJRENRFMIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-methylpyridin-3-ol
• IUPAC Traditional name: 2-methoxy-5-methylpyridin-3-ol
• Synonyms: 2-Methoxy-5-methylpyridin-3-ol; 2-Methoxy-5-methylpyridin-3-ol

Database IDs

• CAS Number: 1227574-65-3
• MDL Number: MFCD15530275
• PubChem SID: 162056365
• PubChem CID: 46318123

CALCULATED PROPERTIES

• Acid pKa: 9.341679
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3958396
• LogD (pH = 7.4): 1.3972604
• Log P: 1.4022157
• Molar Refractivity: 37.6999 cm^3
• Polarizability: 14.335472 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• 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 - ADE000770

Other Notes
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