3,5-dibromo-2-chloro-6-methylpyridine

• ChemBase ID: 87586
• Molecular Formular: C6H4Br2ClN
• Molecular Mass: 285.36366
• Monoisotopic Mass: 282.83990081
• SMILES: n1c(c(cc(c1C)Br)Br)Cl
• Canonical SMILES: Brc1cc(Br)c(nc1C)Cl
• InChI: InChI=1S/C6H4Br2ClN/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3
• InChIKey: AYZAQZJMQIXSLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-2-chloro-6-methylpyridine
• IUPAC Traditional name: 3,5-dibromo-2-chloro-6-methylpyridine
• Synonyms: 2-Chloro-3,5-dibromo-6-methylpyridine; 3,5-Dibromo-2-chloro-6-methylpyridine

Database IDs

• CAS Number: 1000018-58-5
• MDL Number: MFCD09702430
• PubChem SID: 162074626
• PubChem CID: 26966711

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2486706
• LogD (pH = 7.4): 3.2486706
• Log P: 3.2486706
• Molar Refractivity: 49.6043 cm^3
• Polarizability: 19.21198 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%