(4-methylpyridin-2-yl)methanol

• ChemBase ID: 287134
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: Cc1cc(CO)ncc1
• Canonical SMILES: Cc1cc(CO)ncc1
• InChI: InChI=1S/C7H9NO/c1-6-2-3-8-7(4-6)5-9/h2-4,9H,5H2,1H3
• InChIKey: MTYDTSHOQKECQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylpyridin-2-yl)methanol
• IUPAC Traditional name: (4-methylpyridin-2-yl)methanol
• Synonyms: (4-Methylpyridin-2-yl)methanol

Database IDs

• CAS Number: 42508-74-7
• MDL Number: MFCD07774103
• PubChem SID: 180672665
• PubChem CID: 12325388

CALCULATED PROPERTIES

• Acid pKa: 14.23496
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3123925
• LogD (pH = 7.4): 0.5782606
• Log P: 0.5831169
• Molar Refractivity: 35.236 cm^3
• Polarizability: 13.645968 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%