3,6-dibromo-2-chloropyridine

• ChemBase ID: 296521
• Molecular Formular: C5H2Br2ClN
• Molecular Mass: 271.33708
• Monoisotopic Mass: 268.82425075
• SMILES: c1cc(nc(c1Br)Cl)Br
• Canonical SMILES: Brc1ccc(c(n1)Cl)Br
• InChI: InChI=1S/C5H2Br2ClN/c6-3-1-2-4(7)9-5(3)8/h1-2H
• InChIKey: CVZSNXGMWIGPBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dibromo-2-chloropyridine
• IUPAC Traditional name: 3,6-dibromo-2-chloropyridine
• Synonyms: 2-Chloro-3,6-dibromopyridine; 2-氯-3,6-二溴吡啶

Database IDs

• MDL Number: MFCD09037464
• PubChem SID: 180682052
• PubChem CID: 42553063

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3228226
• LogD (pH = 7.4): 3.3228226
• Log P: 3.3228226
• Molar Refractivity: 45.855 cm^3
• Polarizability: 17.560297 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%