4-bromo-2,5-dimethylpyridine

• ChemBase ID: 289120
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: Cc1cnc(C)cc1Br
• Canonical SMILES: Cc1ncc(c(c1)Br)C
• InChI: InChI=1S/C7H8BrN/c1-5-4-9-6(2)3-7(5)8/h3-4H,1-2H3
• InChIKey: CGPIONYVXKQZPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,5-dimethylpyridine
• IUPAC Traditional name: 4-bromo-2,5-dimethylpyridine
• Synonyms: 4-Bromo-2,5-dimethylpyridine; 4-BROMO-2,5-DIMETHYL-PYRIDINE

Database IDs

• CAS Number: 17117-23-6
• MDL Number: MFCD00234307
• PubChem SID: 180674651
• PubChem CID: 22317530

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0085027
• LogD (pH = 7.4): 2.1666377
• Log P: 2.1691177
• Molar Refractivity: 41.1566 cm^3
• Polarizability: 15.7561655 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%