(4-methylpyridin-3-yl)methanol

• ChemBase ID: 238842
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: c1(c(ccnc1)C)CO
• Canonical SMILES: OCc1cnccc1C
• InChI: InChI=1S/C7H9NO/c1-6-2-3-8-4-7(6)5-9/h2-4,9H,5H2,1H3
• InChIKey: YZWSTKQAGIQVJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylpyridin-3-yl)methanol
• IUPAC Traditional name: (4-methylpyridin-3-yl)methanol
• Synonyms: (4-methylpyridin-3-yl)methanol

Database IDs

• MDL Number: MFCD01444898
• PubChem SID: 164294752
• PubChem CID: 232487

CALCULATED PROPERTIES

• Acid pKa: 14.709867
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.22523043
• LogD (pH = 7.4): 0.4962648
• Log P: 0.501645
• Molar Refractivity: 35.7582 cm^3
• Polarizability: 13.64509 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.506

Product Information

• Purity: 95%