2-bromo-3,6-dimethylpyridine

• ChemBase ID: 247520
• Molecular Formular: C7H8BrN
• Molecular Mass: 186.04912
• Monoisotopic Mass: 184.98401126
• SMILES: n1c(c(ccc1C)C)Br
• Canonical SMILES: Cc1ccc(c(n1)Br)C
• InChI: InChI=1S/C7H8BrN/c1-5-3-4-6(2)9-7(5)8/h3-4H,1-2H3
• InChIKey: BKLNQHXCFLTIJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3,6-dimethylpyridine
• IUPAC Traditional name: 2-bromo-3,6-dimethylpyridine
• Synonyms: 2-bromo-3,6-dimethylpyridine

Database IDs

• MDL Number: MFCD12400995
• PubChem SID: 164303430
• PubChem CID: 14003067

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3739645
• LogD (pH = 7.4): 2.3746312
• Log P: 2.3746395
• Molar Refractivity: 41.9988 cm^3
• Polarizability: 15.809463 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.59

Product Information

• Purity: 95%