4-bromo-2,6-dichloropyridine

• ChemBase ID: 289541
• Molecular Formular: C5H2BrCl2N
• Molecular Mass: 226.88608
• Monoisotopic Mass: 224.87476643
• SMILES: Clc1cc(Br)cc(Cl)n1
• Canonical SMILES: Brc1cc(Cl)nc(c1)Cl
• InChI: InChI=1S/C5H2BrCl2N/c6-3-1-4(7)9-5(8)2-3/h1-2H
• InChIKey: GUBXTQINPBZVJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,6-dichloropyridine
• IUPAC Traditional name: 4-bromo-2,6-dichloropyridine
• Synonyms: 4-Bromo-2,6-dichloropyridine

Database IDs

• CAS Number: 98027-80-6
• PubChem SID: 180675072
• PubChem CID: 20280766

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1727698
• LogD (pH = 7.4): 3.1727698
• Log P: 3.1727698
• Molar Refractivity: 43.2561 cm^3
• Polarizability: 16.39219 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%