3-bromo-2-chloro-5-fluoropyridine

• ChemBase ID: 68199
• Molecular Formular: C5H2BrClFN
• Molecular Mass: 210.4314832
• Monoisotopic Mass: 208.90431697
• SMILES: c1(c(cc(cn1)F)Br)Cl
• Canonical SMILES: Fc1cnc(c(c1)Br)Cl
• InChI: InChI=1S/C5H2BrClFN/c6-4-1-3(8)2-9-5(4)7/h1-2H
• InChIKey: NKUUDYHEWVWETB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 884494-36-4
• MDL Number: MFCD03095269
• PubChem SID: 162033931
• PubChem CID: 40418626

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4912498
• LogD (pH = 7.4): 2.4912498
• Log P: 2.4912498
• Molar Refractivity: 37.6064 cm^3
• Polarizability: 14.261637 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+%