4,6-dichloropyridin-2-ol

• ChemBase ID: 798919
• Molecular Formular: C5H3Cl2NO
• Molecular Mass: 163.98942
• Monoisotopic Mass: 162.95916908
• SMILES: n1c(cc(cc1Cl)Cl)O
• Canonical SMILES: Clc1cc(O)nc(c1)Cl
• InChI: InChI=1S/C5H3Cl2NO/c6-3-1-4(7)8-5(9)2-3/h1-2H,(H,8,9)
• InChIKey: JPCAMLFCVLYRMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloropyridin-2-ol
• IUPAC Traditional name: 4,6-dichloropyridin-2-ol
• Synonyms: 4,6-dichloropyridin-2-ol

Database IDs

• CAS Number: 68963-75-7

CALCULATED PROPERTIES

• Acid pKa: 9.911082
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4747155
• LogD (pH = 7.4): 2.4734128
• Log P: 2.4747322
• Molar Refractivity: 36.8664 cm^3
• Polarizability: 13.983489 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%