2,6-dibromo-4-methylpyridine

• ChemBase ID: 68921
• Molecular Formular: C6H5Br2N
• Molecular Mass: 250.9186
• Monoisotopic Mass: 248.87887317
• SMILES: c1(cc(cc(n1)Br)C)Br
• Canonical SMILES: Cc1cc(Br)nc(c1)Br
• InChI: InChI=1S/C6H5Br2N/c1-4-2-5(7)9-6(8)3-4/h2-3H,1H3
• InChIKey: OHBIPNNTWKNAGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromo-4-methylpyridine
• IUPAC Traditional name: 2,6-dibromo-4-methylpyridine
• Synonyms: 2,6-Dibromo-4-picoline; 2,6-Dibromo-4-methylpyridine

Database IDs

• CAS Number: 73112-16-0
• MDL Number: MFCD11036225
• PubChem SID: 162034651
• PubChem CID: 11288174

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: 17.220419 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74-79°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%