2,5-dibromo-3,6-dimethylpyridine

• ChemBase ID: 294702
• Molecular Formular: C7H7Br2N
• Molecular Mass: 264.94518
• Monoisotopic Mass: 262.89452323
• SMILES: Cc1c(Br)cc(C)c(Br)n1
• Canonical SMILES: Brc1nc(C)c(cc1C)Br
• InChI: InChI=1S/C7H7Br2N/c1-4-3-6(8)5(2)10-7(4)9/h3H,1-2H3
• InChIKey: IMCRHWXLCJFQPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 38749-93-8
• MDL Number: MFCD00234281
• PubChem SID: 180680233
• PubChem CID: 817215

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1433747
• LogD (pH = 7.4): 3.143392
• Log P: 3.1433923
• Molar Refractivity: 49.6216 cm^3
• Polarizability: 18.886822 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%