3-chloro-2-fluoro-4-iodopyridine

• ChemBase ID: 54406
• Molecular Formular: C5H2ClFIN
• Molecular Mass: 257.4319532
• Monoisotopic Mass: 256.89045297
• SMILES: c1(c(c(ccn1)I)Cl)F
• Canonical SMILES: Ic1ccnc(c1Cl)F
• InChI: InChI=1S/C5H2ClFIN/c6-4-3(8)1-2-9-5(4)7/h1-2H
• InChIKey: NPDICENVXROWJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-fluoro-4-iodopyridine
• IUPAC Traditional name: 3-chloro-2-fluoro-4-iodopyridine
• Synonyms: 3-Chloro-2-fluoro-4-iodopyridine

Database IDs

• CAS Number: 796851-05-3
• MDL Number: MFCD16610366
• PubChem SID: 162059169
• PubChem CID: 54758839

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: 16.633598 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: 97%