3-chloro-6-methylpyridin-2-ol

• ChemBase ID: 807334
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: n1c(c(ccc1C)Cl)O
• Canonical SMILES: Cc1ccc(c(n1)O)Cl
• InChI: InChI=1S/C6H6ClNO/c1-4-2-3-5(7)6(9)8-4/h2-3H,1H3,(H,8,9)
• InChIKey: ZAFKENHBTCGCHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-methylpyridin-2-ol
• IUPAC Traditional name: 3-chloro-6-methylpyridin-2-ol
• Synonyms: 3-CHLORO-2-HYDROXY-6-METHYLPYRIDINE

Database IDs

• CAS Number: 886365-34-0

CALCULATED PROPERTIES

• Acid pKa: 9.983193
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7818257
• LogD (pH = 7.4): 1.7807621
• Log P: 1.7818805
• Molar Refractivity: 35.5918 cm^3
• Polarizability: 13.737088 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%