(2,6-dimethylpyridin-4-yl)methanol

• ChemBase ID: 64530
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: n1c(cc(cc1C)CO)C
• Canonical SMILES: OCc1cc(C)nc(c1)C
• InChI: InChI=1S/C8H11NO/c1-6-3-8(5-10)4-7(2)9-6/h3-4,10H,5H2,1-2H3
• InChIKey: DLDGHMPQNVTNRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-dimethylpyridin-4-yl)methanol
• IUPAC Traditional name: (2,6-dimethylpyridin-4-yl)methanol
• Synonyms: (2,6-Dimethylpyridin-4-yl)methanol; 4-(Hydroxymethyl)-2,6-lutidine; 2,6-Dimethyl-4-(hydroxymethyl)pyridine; (2,6-Dimethylpyridin-4-yl)methanol

Database IDs

• CAS Number: 18088-01-2
• MDL Number: MFCD00956275
• PubChem SID: 162030269
• PubChem CID: 3825077

CALCULATED PROPERTIES

• Acid pKa: 14.907982
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6902674
• LogD (pH = 7.4): 0.20665035
• Log P: 0.25096396
• Molar Refractivity: 39.9 cm^3
• Polarizability: 15.411676 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 96%