5-chloro-2-fluoro-4-iodopyridine

• ChemBase ID: 97617
• Molecular Formular: C5H2ClFIN
• Molecular Mass: 257.4319532
• Monoisotopic Mass: 256.89045297
• SMILES: n1c(cc(c(c1)Cl)I)F
• Canonical SMILES: Fc1ncc(c(c1)I)Cl
• InChI: InChI=1S/C5H2ClFIN/c6-3-2-9-5(7)1-4(3)8/h1-2H
• InChIKey: MAQBAWYSDZIKIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-fluoro-4-iodopyridine
• IUPAC Traditional name: 5-chloro-2-fluoro-4-iodopyridine
• Synonyms: 5-Chloro-2-fluoro-4-iodopyridine

Database IDs

• CAS Number: 659731-48-3
• PubChem SID: 162084213
• PubChem CID: 21865336

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: 16.608143 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold/Store under Argon

Product Information

• Purity: 95+%; 98%