3-fluoro-2-iodopyridine

• ChemBase ID: 23711
• Molecular Formular: C5H3FIN
• Molecular Mass: 222.9868932
• Monoisotopic Mass: 222.92942532
• SMILES: c1cnc(c(c1)F)I
• Canonical SMILES: Fc1cccnc1I
• InChI: InChI=1S/C5H3FIN/c6-4-2-1-3-8-5(4)7/h1-3H
• InChIKey: ZDGZTSMMMPDJLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-2-iodopyridine
• IUPAC Traditional name: 3-fluoro-2-iodopyridine
• Synonyms: 3-Fluoro-2-iodo-pyridine; 3-Fluoro-2-iodo-pyridine; 3-Fluoro-2-iodopyridine

Database IDs

• CAS Number: 146141-04-0
• MDL Number: MFCD03095288
• PubChem SID: 160987018
• PubChem CID: 1519483

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8598073
• LogD (pH = 7.4): 1.8598074
• Log P: 1.8598074
• Molar Refractivity: 37.1881 cm^3
• Polarizability: 14.655298 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C5H3FIN

DETAILS

Sigma Aldrich - ADE000285

Other Notes
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