5-bromo-2-chloro-3-(difluoromethyl)pyridine

• ChemBase ID: 66204
• Molecular Formular: C6H3BrClF2N
• Molecular Mass: 242.4485264
• Monoisotopic Mass: 240.91054522
• SMILES: c1(c(cc(cn1)Br)C(F)F)Cl
• Canonical SMILES: Brc1cnc(c(c1)C(F)F)Cl
• InChI: InChI=1S/C6H3BrClF2N/c7-3-1-4(6(9)10)5(8)11-2-3/h1-2,6H
• InChIKey: SENZWWWZWMAPAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-chloro-3-(difluoromethyl)pyridine
• IUPAC Traditional name: 5-bromo-2-chloro-3-(difluoromethyl)pyridine
• Synonyms: 5-Bromo-2-chloro-3-(difluoromethyl)pyridine

Database IDs

• MDL Number: MFCD22199307
• PubChem SID: 162031943
• PubChem CID: 60623016

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7376359
• LogD (pH = 7.4): 2.7376359
• Log P: 2.7376359
• Molar Refractivity: 42.474 cm^3
• Polarizability: 16.010386 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%