4,6-dimethylpyridin-3-ol

• ChemBase ID: 92419
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: n1cc(c(cc1C)C)O
• Canonical SMILES: Cc1ncc(c(c1)C)O
• InChI: InChI=1S/C7H9NO/c1-5-3-6(2)8-4-7(5)9/h3-4,9H,1-2H3
• InChIKey: OICQOTPIZHVKQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethylpyridin-3-ol
• IUPAC Traditional name: 4,6-dimethylpyridin-3-ol
• Synonyms: 4,6-Dimethylpyridin-3-ol; 5-Hydroxy-2,4-lutidine; 2,4-Dimethyl-5-hydroxypyridine 97%

Database IDs

• CAS Number: 27296-77-1
• MDL Number: MFCD08272851
• PubChem SID: 162079117
• PubChem CID: 15047367

CALCULATED PROPERTIES

• LogD (pH = 7.4): 1.0163927
• Log P: 1.0967996
• Molar Refractivity: 35.5147 cm^3
• Polarizability: 13.560762 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 10.006055
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.05566491

PROPERTIES

Safety Information

• Storage Warning: Irritant/Store under Argon