4-bromo-2-methylpyridine hydrochloride

• ChemBase ID: 812757
• Molecular Formular: C6H7BrClN
• Molecular Mass: 208.48348
• Monoisotopic Mass: 206.94503891
• SMILES: Cl.n1c(cc(cc1)Br)C
• Canonical SMILES: Brc1ccnc(c1)C.Cl
• InChI: InChI=1S/C6H6BrN.ClH/c1-5-4-6(7)2-3-8-5;/h2-4H,1H3;1H
• InChIKey: KSDPKTQFQCXYNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-methylpyridine hydrochloride
• IUPAC Traditional name: 4-bromo-2-methylpyridine hydrochloride
• Synonyms: 4-BROMO-2-METHYL-PYRIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 22282-99-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5891659
• LogD (pH = 7.4): 1.6547866
• Log P: 1.6556962
• Molar Refractivity: 36.1154 cm^3
• Polarizability: 14.015969 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%