2,5-dibromo-3-chloropyridine

• ChemBase ID: 64369
• Molecular Formular: C5H2Br2ClN
• Molecular Mass: 271.33708
• Monoisotopic Mass: 268.82425075
• SMILES: n1c(c(cc(c1)Br)Cl)Br
• Canonical SMILES: Brc1cnc(c(c1)Cl)Br
• InChI: InChI=1S/C5H2Br2ClN/c6-3-1-4(8)5(7)9-2-3/h1-2H
• InChIKey: FMPHOXAZOVLRIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromo-3-chloropyridine
• IUPAC Traditional name: 2,5-dibromo-3-chloropyridine
• Synonyms: 2,5-Dibromo-3-chloropyridine

Database IDs

• CAS Number: 160599-70-2
• MDL Number: MFCD08277306
• PubChem SID: 162030108
• PubChem CID: 12630983

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1026454
• LogD (pH = 7.4): 3.1026454
• Log P: 3.1026454
• Molar Refractivity: 44.7937 cm^3
• Polarizability: 17.521233 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%