2,5-dichloropyridin-4-ol

• ChemBase ID: 89815
• Molecular Formular: C5H3Cl2NO
• Molecular Mass: 163.98942
• Monoisotopic Mass: 162.95916908
• SMILES: n1c(cc(c(c1)Cl)O)Cl
• Canonical SMILES: Clc1ncc(c(c1)O)Cl
• InChI: InChI=1S/C5H3Cl2NO/c6-3-2-8-5(7)1-4(3)9/h1-2H,(H,8,9)
• InChIKey: RJKYZTVQNJPAGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloropyridin-4-ol
• IUPAC Traditional name: 2,5-dichloropyridin-4-ol
• Synonyms: 2,5-dichloropyridin-4-ol; 2,5-Dichloropyridin-4-ol; 2,5-Dichloro-4-hydroxypyridine

Database IDs

• CAS Number: 343781-57-7; 847664-65-7
• MDL Number: MFCD01861982
• PubChem SID: 162076671
• PubChem CID: 2735996

CALCULATED PROPERTIES

• Acid pKa: 7.9264145
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8786856
• LogD (pH = 7.4): 1.7699133
• Log P: 1.8802747
• Molar Refractivity: 36.5529 cm^3
• Polarizability: 13.997326 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/Keep Cold

Product Information

• Purity: 97%; 98%