5-chloro-6-methylpyridin-2-ol

• ChemBase ID: 290596
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: Oc1nc(C)c(Cl)cc1
• Canonical SMILES: Oc1ccc(c(n1)C)Cl
• InChI: InChI=1S/C6H6ClNO/c1-4-5(7)2-3-6(9)8-4/h2-3H,1H3,(H,8,9)
• InChIKey: KKBQGGMFFZSBLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-6-methylpyridin-2-ol
• IUPAC Traditional name: 5-chloro-6-methylpyridin-2-ol
• Synonyms: 5-Chloro-6-methylpyridin-2-ol

Database IDs

• CAS Number: 103997-23-5
• PubChem SID: 180676127
• PubChem CID: 23318261

CALCULATED PROPERTIES

• Acid pKa: 10.946874
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7818455
• LogD (pH = 7.4): 1.7817582
• Log P: 1.7818805
• Molar Refractivity: 35.5918 cm^3
• Polarizability: 13.713958 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%