4-bromo-2,3-dimethylpyridine

• ChemBase ID: 289273
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: Cc1c(Br)ccnc1C
• Canonical SMILES: Cc1c(Br)ccnc1C
• InChI: InChI=1S/C7H8BrN/c1-5-6(2)9-4-3-7(5)8/h3-4H,1-2H3
• InChIKey: PHCLIPMSNVUELH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 259807-91-5
• MDL Number: MFCD18253389
• PubChem SID: 180674804
• PubChem CID: 22317941

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9947639
• LogD (pH = 7.4): 2.166376
• Log P: 2.1691177
• Molar Refractivity: 41.1566 cm^3
• Polarizability: 15.756343 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%