5-bromo-2-fluoro-4-methylpyridine hydrochloride

• ChemBase ID: 798773
• Molecular Formular: C6H6BrClFN
• Molecular Mass: 226.4739432
• Monoisotopic Mass: 224.9356171
• SMILES: Cl.n1c(cc(c(c1)Br)C)F
• Canonical SMILES: Fc1ncc(c(c1)C)Br.Cl
• InChI: InChI=1S/C6H5BrFN.ClH/c1-4-2-6(8)9-3-5(4)7;/h2-3H,1H3;1H
• InChIKey: GLYLEGPYVXHGDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-fluoro-4-methylpyridine hydrochloride
• IUPAC Traditional name: 5-bromo-2-fluoro-4-methylpyridine hydrochloride
• Synonyms: 5-bromo-2-fluoro-4-methylpyridine hydrochloride

Database IDs

• CAS Number: 1211596-74-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.57438
• LogD (pH = 7.4): 2.57438
• Log P: 2.57438
• Molar Refractivity: 37.7962 cm^3
• Polarizability: 13.892493 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%