3-bromo-2,4-dimethylpyridine

• ChemBase ID: 287549
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: Cc1c(Br)c(C)ncc1
• Canonical SMILES: Brc1c(C)ccnc1C
• InChI: InChI=1S/C7H8BrN/c1-5-3-4-9-6(2)7(5)8/h3-4H,1-2H3
• InChIKey: HWSUJPQZGWOXFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2,4-dimethylpyridine
• IUPAC Traditional name: 3-bromo-2,4-dimethylpyridine
• Synonyms: 3-Bromo-2,4-dimethylpyridine

Database IDs

• CAS Number: 27063-93-0
• PubChem SID: 180673080
• PubChem CID: 14003064

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0017881
• LogD (pH = 7.4): 2.166511
• Log P: 2.1691177
• Molar Refractivity: 41.1566 cm^3
• Polarizability: 15.760289 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%