2,6-dichloropyridin-4-ol

• ChemBase ID: 67732
• Molecular Formular: C5H3Cl2NO
• Molecular Mass: 163.98942
• Monoisotopic Mass: 162.95916908
• SMILES: c1(cc(cc(n1)Cl)O)Cl
• Canonical SMILES: Oc1cc(Cl)nc(c1)Cl
• InChI: InChI=1S/C5H3Cl2NO/c6-4-1-3(9)2-5(7)8-4/h1-2H,(H,8,9)
• InChIKey: OSNKDCCXTYRUGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloropyridin-4-ol
• IUPAC Traditional name: 2,6-dichloropyridin-4-ol
• Synonyms: 2,6-Dichloro-4-hydroxypyridine; 2,6-Dichloropyridin-4-ol

Database IDs

• CAS Number: 17228-74-9
• MDL Number: MFCD00955619
• PubChem SID: 162033467
• PubChem CID: 2784730

CALCULATED PROPERTIES

• Acid pKa: 8.757557
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1002164
• LogD (pH = 7.4): 2.0821638
• Log P: 2.1004517
• Molar Refractivity: 37.6142 cm^3
• Polarizability: 14.032271 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 95+%