(4-chloro-6-methylpyridin-2-yl)methanol

• ChemBase ID: 293525
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: OCc1nc(C)cc(Cl)c1
• Canonical SMILES: OCc1cc(Cl)cc(n1)C
• InChI: InChI=1S/C7H8ClNO/c1-5-2-6(8)3-7(4-10)9-5/h2-3,10H,4H2,1H3
• InChIKey: XNIABQWETIDWCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chloro-6-methylpyridin-2-yl)methanol
• IUPAC Traditional name: (4-chloro-6-methylpyridin-2-yl)methanol
• Synonyms: (4-CHLORO-6-METHYL-PYRIDIN-2-YL)-METHANOL; (4-Chloro-6-methylpyridin-2-yl)methanol

Database IDs

• CAS Number: 98280-32-1
• MDL Number: MFCD07374952
• PubChem SID: 180679056
• PubChem CID: 22727138

CALCULATED PROPERTIES

• Acid pKa: 14.140816
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7774076
• LogD (pH = 7.4): 0.80475
• Log P: 0.80511034
• Molar Refractivity: 39.5911 cm^3
• Polarizability: 15.545648 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%