5,6-dichloropyridin-3-ol

• ChemBase ID: 294112
• Molecular Formular: C5H3Cl2NO
• Molecular Mass: 163.98942
• Monoisotopic Mass: 162.95916908
• SMILES: Oc1cnc(Cl)c(Cl)c1
• Canonical SMILES: Oc1cnc(c(c1)Cl)Cl
• InChI: InChI=1S/C5H3Cl2NO/c6-4-1-3(9)2-8-5(4)7/h1-2,9H
• InChIKey: GMHPKIGFTDRQBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dichloropyridin-3-ol
• IUPAC Traditional name: 5,6-dichloropyridin-3-ol
• Synonyms: 5,6-Dichloropyridin-3-ol

Database IDs

• CAS Number: 110860-92-9
• PubChem SID: 180679643
• PubChem CID: 14391672

CALCULATED PROPERTIES

• Acid pKa: 7.6963034
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8775735
• LogD (pH = 7.4): 1.706885
• Log P: 1.8802747
• Molar Refractivity: 36.5529 cm^3
• Polarizability: 14.00776 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%