5-chloro-2-fluoro-3-iodopyridine

• ChemBase ID: 293726
• Molecular Formular: C5H2ClFIN
• Molecular Mass: 257.4319532
• Monoisotopic Mass: 256.89045297
• SMILES: Fc1ncc(Cl)cc1I
• Canonical SMILES: Clc1cnc(c(c1)I)F
• InChI: InChI=1S/C5H2ClFIN/c6-3-1-4(8)5(7)9-2-3/h1-2H
• InChIKey: ASCAFZNEDOLLTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-fluoro-3-iodopyridine
• IUPAC Traditional name: 5-chloro-2-fluoro-3-iodopyridine
• Synonyms: 5-Chloro-2-fluoro-3-iodopyridine

Database IDs

• CAS Number: 884495-31-2
• PubChem SID: 180679257
• PubChem CID: 44754855

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.825195
• LogD (pH = 7.4): 2.825195
• Log P: 2.825195
• Molar Refractivity: 43.2995 cm^3
• Polarizability: 16.61001 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%