2,6-dimethylpyridin-3-ol

• ChemBase ID: 84752
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: n1c(c(ccc1C)O)C
• Canonical SMILES: Cc1ccc(c(n1)C)O
• InChI: InChI=1S/C7H9NO/c1-5-3-4-7(9)6(2)8-5/h3-4,9H,1-2H3
• InChIKey: AMQJAKKATFMFTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylpyridin-3-ol
• IUPAC Traditional name: 2,6-dimethyl-3-oxypyridine
• Synonyms: 2,6-Dimethylpyridin-3-ol; 3-Hydroxy-2,6-lutidine; 2,6-Dimethyl-3-hydroxypyridine; 2,6-dimethylpyridin-3-ol

Database IDs

• CAS Number: 1122-43-6
• MDL Number: MFCD00228692
• PubChem SID: 162071868
• PubChem CID: 70732

CALCULATED PROPERTIES

• Acid pKa: 10.110497
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.4042173
• LogD (pH = 7.4): 0.641432
• Log P: 0.7147484
• Molar Refractivity: 35.065 cm^3
• Polarizability: 13.562479 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210-212°C

Safety Information

• Storage Warning: Irritant/Store under Argon

Product Information

• Purity: 95+%; 97%