2,3-dibromo-4-methylpyridine

• ChemBase ID: 797200
• Molecular Formular: C6H5Br2N
• Molecular Mass: 250.9186
• Monoisotopic Mass: 248.87887317
• SMILES: n1c(c(c(cc1)C)Br)Br
• Canonical SMILES: Brc1c(C)ccnc1Br
• InChI: InChI=1S/C6H5Br2N/c1-4-2-3-9-6(8)5(4)7/h2-3H,1H3
• InChIKey: CHLBQXITXFNXNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromo-4-methylpyridine
• IUPAC Traditional name: 2,3-dibromo-4-methylpyridine
• Synonyms: 2,3-DibroMo-4-Methylpyridine

Database IDs

• CAS Number: 871483-22-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0120146
• LogD (pH = 7.4): 3.012022
• Log P: 3.012022
• Molar Refractivity: 45.0301 cm^3
• Polarizability: 17.181273 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%