4,6-dimethylpyridin-2-ol

• ChemBase ID: 84190
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: n1c(cc(cc1C)C)O
• Canonical SMILES: Cc1cc(C)nc(c1)O
• InChI: InChI=1S/C7H9NO/c1-5-3-6(2)8-7(9)4-5/h3-4H,1-2H3,(H,8,9)
• InChIKey: FSPIBFKGESGOLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethylpyridin-2-ol
• IUPAC Traditional name: 4,6-dimethylpyridin-2-ol
• Synonyms: 4,6-Dimethylpyridin-2-ol; 4,6-Dimethylpyridin-2(1H)-one; 2,4-Dimethyl-6-hydroxypyridine; 4,6-dimethylpyridin-2-ol

Database IDs

• CAS Number: 16115-08-5
• MDL Number: MFCD00831528
• PubChem SID: 162071306
• PubChem CID: 226288

CALCULATED PROPERTIES

• Acid pKa: 12.009287
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6912371
• LogD (pH = 7.4): 1.6912464
• Log P: 1.6912571
• Molar Refractivity: 35.8282 cm^3
• Polarizability: 13.563236 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%; 97%