5-bromo-3-chloro-2-fluoropyridine

• ChemBase ID: 68755
• Molecular Formular: C5H2BrClFN
• Molecular Mass: 210.4314832
• Monoisotopic Mass: 208.90431697
• SMILES: c1(c(cc(cn1)Br)Cl)F
• Canonical SMILES: Brc1cnc(c(c1)Cl)F
• InChI: InChI=1S/C5H2BrClFN/c6-3-1-4(7)5(8)9-2-3/h1-2H
• InChIKey: WXKLHBHJIBAXQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-chloro-2-fluoropyridine
• IUPAC Traditional name: 5-bromo-3-chloro-2-fluoropyridine
• Synonyms: 5-Bromo-3-chloro-2-fluoropyridine

Database IDs

• CAS Number: 38185-56-7
• MDL Number: MFCD09834365
• PubChem SID: 162034485
• PubChem CID: 12056904

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6650033
• LogD (pH = 7.4): 2.6650033
• Log P: 2.6650033
• Molar Refractivity: 37.5598 cm^3
• Polarizability: 14.234199 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%