2-bromo-3,5-dimethylpyridine

• ChemBase ID: 78430
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: n1c(c(cc(c1)C)C)Br
• Canonical SMILES: Cc1cnc(c(c1)C)Br
• InChI: InChI=1S/C7H8BrN/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3
• InChIKey: JHGGKVFEGBEWQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 92992-85-3
• MDL Number: MFCD00234308
• PubChem SID: 162043197
• PubChem CID: 11137833

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7562284
• LogD (pH = 7.4): 2.756685
• Log P: 2.7566907
• Molar Refractivity: 42.4485 cm^3
• Polarizability: 15.8095 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon