3,5-dibromo-2,6-dimethylpyridine

• ChemBase ID: 67395
• Molecular Formular: C7H7Br2N
• Molecular Mass: 264.94518
• Monoisotopic Mass: 262.89452323
• SMILES: c1(c(cc(c(n1)C)Br)Br)C
• Canonical SMILES: Brc1cc(Br)c(nc1C)C
• InChI: InChI=1S/C7H7Br2N/c1-4-6(8)3-7(9)5(2)10-4/h3H,1-2H3
• InChIKey: CTOFYKSVKNMNGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-2,6-dimethylpyridine
• IUPAC Traditional name: 3,5-dibromo-2,6-dimethylpyridine
• Synonyms: 3,5-Dibromo-2,6-dimethylpyridine

Database IDs

• CAS Number: 3430-34-0
• MDL Number: MFCD00234282
• PubChem SID: 162033130
• PubChem CID: 817217

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5523343
• LogD (pH = 7.4): 2.555775
• Log P: 2.555819
• Molar Refractivity: 48.3297 cm^3
• Polarizability: 18.84136 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%