5-chloro-4-methylpyridin-2-ol

• ChemBase ID: 807319
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: n1c(cc(c(c1)Cl)C)O
• Canonical SMILES: Oc1ncc(c(c1)C)Cl
• InChI: InChI=1S/C6H6ClNO/c1-4-2-6(9)8-3-5(4)7/h2-3H,1H3,(H,8,9)
• InChIKey: BSUJQJXODPSJTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-4-methylpyridin-2-ol
• IUPAC Traditional name: 5-chloro-4-methylpyridin-2-ol
• Synonyms: 5-CHLORO-4-METHYLPYRIDIN-2-OL

Database IDs

• CAS Number: 886364-92-7

CALCULATED PROPERTIES

• Acid pKa: 10.882418
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1638937
• LogD (pH = 7.4): 2.16379
• Log P: 2.1639316
• Molar Refractivity: 36.0415 cm^3
• Polarizability: 13.71355 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%