2,6-dibromo-3-methylpyridine

• ChemBase ID: 812684
• Molecular Formular: C6H5Br2N
• Molecular Mass: 250.9186
• Monoisotopic Mass: 248.87887317
• SMILES: c1c(c(nc(c1)Br)Br)C
• Canonical SMILES: Brc1ccc(c(n1)Br)C
• InChI: InChI=1S/C6H5Br2N/c1-4-2-3-5(7)9-6(4)8/h2-3H,1H3
• InChIKey: VIDRDACEFROUKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromo-3-methylpyridine
• IUPAC Traditional name: 2,6-dibromo-3-methylpyridine
• Synonyms: 2,6-DIBROMO-3-PICOLINE

Database IDs

• CAS Number: 887571-15-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.217544
• LogD (pH = 7.4): 3.217544
• Log P: 3.217544
• Molar Refractivity: 45.8723 cm^3
• Polarizability: 17.222773 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%