2,6-dimethylpyridin-4-ol

• ChemBase ID: 22268
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: c1c(nc(cc1O)C)C
• Canonical SMILES: Oc1cc(C)nc(c1)C
• InChI: InChI=1S/C7H9NO/c1-5-3-7(9)4-6(2)8-5/h3-4H,1-2H3,(H,8,9)
• InChIKey: PRAFLUMTYHBEHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylpyridin-4-ol
• IUPAC Traditional name: 2,6-dimethylpyridin-4-ol
• Synonyms: 2,6-Dimethyl-4-hydroxypyridine; 2,6-Dimethyl-4-hydroxypyridine 98%

Database IDs

• CAS Number: 13603-44-6
• MDL Number: MFCD00956021
• PubChem SID: 160985575
• PubChem CID: 83609

CALCULATED PROPERTIES

• Acid pKa: 10.949661
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6984395
• LogD (pH = 7.4): 0.71441424
• Log P: 0.7147484
• Molar Refractivity: 35.065 cm^3
• Polarizability: 13.559062 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 230-232°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%