2-chloro-5-fluoro-3-iodopyridine

• ChemBase ID: 23770
• Molecular Formular: C5H2ClFIN
• Molecular Mass: 257.4319532
• Monoisotopic Mass: 256.89045297
• SMILES: c1(cnc(c(c1)I)Cl)F
• Canonical SMILES: Fc1cnc(c(c1)I)Cl
• InChI: InChI=1S/C5H2ClFIN/c6-5-4(8)1-3(7)2-9-5/h1-2H
• InChIKey: KNGPAZKKHRTDEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-fluoro-3-iodopyridine
• IUPAC Traditional name: 2-chloro-5-fluoro-3-iodopyridine
• Synonyms: 2-Chloro-5-fluoro-3-iodo-pyridine; 2-Chloro-5-fluoro-3-iodo-pyridine; 2-CHLORO-5-FLUORO-3-IODOPYRIDINE

Database IDs

• CAS Number: 884494-33-1
• MDL Number: MFCD03095255
• PubChem SID: 160987077
• PubChem CID: 24229200

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6514416
• LogD (pH = 7.4): 2.6514416
• Log P: 2.6514416
• Molar Refractivity: 43.3461 cm^3
• Polarizability: 16.654299 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%; 98%
• Empirical Formula (Hill Notation): C5H2ClFIN

DETAILS

Sigma Aldrich - ADE000396

Other Notes
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