3-fluoro-5-iodopyridine

• ChemBase ID: 23756
• Molecular Formular: C5H3FIN
• Molecular Mass: 222.9868932
• Monoisotopic Mass: 222.92942532
• SMILES: c1(cncc(c1)F)I
• Canonical SMILES: Fc1cncc(c1)I
• InChI: InChI=1S/C5H3FIN/c6-4-1-5(7)3-8-2-4/h1-3H
• InChIKey: MMJSSIRVEYQWMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5-iodopyridine
• IUPAC Traditional name: 3-fluoro-5-iodopyridine
• Synonyms: 3-Fluoro-5-iodopyridine

Database IDs

• CAS Number: 757950-13-3
• MDL Number: MFCD08457780
• PubChem SID: 160987063
• PubChem CID: 18454778

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8272066
• LogD (pH = 7.4): 1.8272196
• Log P: 1.8272198
• Molar Refractivity: 37.48 cm^3
• Polarizability: 14.574041 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; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%