5-bromo-2-chloro-3-fluoropyridine

• ChemBase ID: 22271
• Molecular Formular: C5H2BrClFN
• Molecular Mass: 210.4314832
• Monoisotopic Mass: 208.90431697
• SMILES: c1(cnc(c(c1)F)Cl)Br
• Canonical SMILES: Brc1cnc(c(c1)F)Cl
• InChI: InChI=1S/C5H2BrClFN/c6-3-1-4(8)5(7)9-2-3/h1-2H
• InChIKey: OEKXUEWGXWCENG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 831203-13-5
• MDL Number: MFCD03411574
• PubChem SID: 160985578
• PubChem CID: 2763285

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: 14.272589 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 50-52°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 97%; 98%