2,3,6-tribromo-5-methylpyridine

• ChemBase ID: 813312
• Molecular Formular: C6H4Br3N
• Molecular Mass: 329.81466
• Monoisotopic Mass: 326.78938513
• SMILES: n1c(c(cc(c1Br)Br)C)Br
• Canonical SMILES: Cc1cc(Br)c(nc1Br)Br
• InChI: InChI=1S/C6H4Br3N/c1-3-2-4(7)6(9)10-5(3)8/h2H,1H3
• InChIKey: XXEWSVZWDLDXRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,6-tribromo-5-methylpyridine
• IUPAC Traditional name: 2,3,6-tribromo-5-methylpyridine
• Synonyms: 2,5,6-TRIBROMO-3-METHYLPYRIDINE

Database IDs

• CAS Number: 393516-82-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9862967
• LogD (pH = 7.4): 3.9862967
• Log P: 3.9862967
• Molar Refractivity: 53.4951 cm^3
• Polarizability: 20.43416 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%