3,5-dibromo-2-chloro-4-methylpyridine

• ChemBase ID: 73670
• Molecular Formular: C6H4Br2ClN
• Molecular Mass: 285.36366
• Monoisotopic Mass: 282.83990081
• SMILES: n1c(c(c(c(c1)Br)C)Br)Cl
• Canonical SMILES: Brc1cnc(c(c1C)Br)Cl
• InChI: InChI=1S/C6H4Br2ClN/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3
• InChIKey: PFKZKCIYLRBYBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-2-chloro-4-methylpyridine
• IUPAC Traditional name: 3,5-dibromo-2-chloro-4-methylpyridine
• Synonyms: 2-Chloro-3,5-dibromo-4-methylpyridine

Database IDs

• CAS Number: 1000017-92-4
• MDL Number: MFCD09864796
• PubChem SID: 162038589
• PubChem CID: 26369165

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6307218
• LogD (pH = 7.4): 3.6307218
• Log P: 3.6307218
• Molar Refractivity: 50.054 cm^3
• Polarizability: 19.211678 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%