5-bromo-2,3-dimethylpyridine

• ChemBase ID: 70388
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: c1(c(cc(cn1)Br)C)C
• Canonical SMILES: Brc1cnc(c(c1)C)C
• InChI: InChI=1S/C7H8BrN/c1-5-3-7(8)4-9-6(5)2/h3-4H,1-2H3
• InChIKey: PVWAMZCIAHXKJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2,3-dimethylpyridine
• IUPAC Traditional name: 5-bromo-2,3-dimethylpyridine
• Synonyms: 5-Bromo-2,3-dimethylpyridine

Database IDs

• CAS Number: 27063-90-7
• MDL Number: MFCD11656270
• PubChem SID: 162036108
• PubChem CID: 11446762

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1232128
• LogD (pH = 7.4): 2.168506
• Log P: 2.1691177
• Molar Refractivity: 41.1566 cm^3
• Polarizability: 15.759311 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%