(2,3-dimethylpyridin-4-yl)methanol

• ChemBase ID: 815452
• Molecular Formular: C8H11NO
• Molecular Mass: 137.17904
• Monoisotopic Mass: 137.08406398
• SMILES: C(O)c1c(c(ncc1)C)C
• Canonical SMILES: OCc1ccnc(c1C)C
• InChI: InChI=1S/C8H11NO/c1-6-7(2)9-4-3-8(6)5-10/h3-4,10H,5H2,1-2H3
• InChIKey: NBNDAPGHKFZYIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-dimethylpyridin-4-yl)methanol
• IUPAC Traditional name: (2,3-dimethylpyridin-4-yl)methanol
• Synonyms: (2,3-dimethylpyridin-4-yl)methanol

Database IDs

• CAS Number: 867141-54-6

CALCULATED PROPERTIES

• Acid pKa: 14.874431
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.055179056
• LogD (pH = 7.4): 0.6090261
• Log P: 0.63301516
• Molar Refractivity: 40.3497 cm^3
• Polarizability: 15.411621 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%