2,3-dichloropyridin-4-ol

• ChemBase ID: 89561
• Molecular Formular: C5H3Cl2NO
• Molecular Mass: 163.98942
• Monoisotopic Mass: 162.95916908
• SMILES: n1c(c(c(cc1)O)Cl)Cl
• Canonical SMILES: Clc1c(O)ccnc1Cl
• InChI: InChI=1S/C5H3Cl2NO/c6-4-3(9)1-2-8-5(4)7/h1-2H,(H,8,9)
• InChIKey: OIIQOSKJOINELL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloropyridin-4-ol
• IUPAC Traditional name: 2,3-dichloropyridin-4-ol
• Synonyms: 2,3-Dichloropyridin-4-ol; 2,3-Dichloro-4-hydroxypyridine

Database IDs

• CAS Number: 1174047-06-3
• PubChem SID: 162076438
• PubChem CID: 58535084

CALCULATED PROPERTIES

• Acid pKa: 8.750488
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8800358
• LogD (pH = 7.4): 1.8617251
• Log P: 1.8802747
• Molar Refractivity: 36.5529 cm^3
• Polarizability: 14.026834 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon