2,3,5-tribromo-4-methylpyridine

• ChemBase ID: 85988
• Molecular Formular: C6H4Br3N
• Molecular Mass: 329.81466
• Monoisotopic Mass: 326.78938513
• SMILES: n1c(c(c(c(c1)Br)C)Br)Br
• Canonical SMILES: Brc1cnc(c(c1C)Br)Br
• InChI: InChI=1S/C6H4Br3N/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3
• InChIKey: ZVQAJINJCRPCNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-tribromo-4-methylpyridine
• IUPAC Traditional name: 2,3,5-tribromo-4-methylpyridine
• Synonyms: 4-Methyl-2,3,5-tribromopyridine

Database IDs

• MDL Number: MFCD06254603
• PubChem SID: 162073104
• PubChem CID: 4738475

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7807746
• LogD (pH = 7.4): 3.7807746
• Log P: 3.7807746
• Molar Refractivity: 52.6529 cm^3
• Polarizability: 20.39034 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true