2,6-dibromo-3,5-dimethylpyridine

• ChemBase ID: 289115
• Molecular Formular: C7H7Br2N
• Molecular Mass: 264.94518
• Monoisotopic Mass: 262.89452323
• SMILES: Cc1c(Br)nc(Br)c(C)c1
• Canonical SMILES: Cc1cc(C)c(nc1Br)Br
• InChI: InChI=1S/C7H7Br2N/c1-4-3-5(2)7(9)10-6(4)8/h3H,1-2H3
• InChIKey: ILHNZRHAVNCIFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 117846-58-9
• PubChem SID: 180674646
• PubChem CID: 817218

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7309654
• LogD (pH = 7.4): 3.7309654
• Log P: 3.7309654
• Molar Refractivity: 50.9135 cm^3
• Polarizability: 18.93292 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%