2-fluoro-3-iodopyrazine

• ChemBase ID: 65409
• Molecular Formular: C4H2FIN2
• Molecular Mass: 223.9749532
• Monoisotopic Mass: 223.92467429
• SMILES: c1nc(c(nc1)I)F
• Canonical SMILES: Fc1nccnc1I
• InChI: InChI=1S/C4H2FIN2/c5-3-4(6)8-2-1-7-3/h1-2H
• InChIKey: ZGDOFCZYQIJHRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-3-iodopyrazine
• IUPAC Traditional name: 2-fluoro-3-iodopyrazine
• Synonyms: 2-Fluoro-3-iodopyrazine

Database IDs

• CAS Number: 206278-26-4
• MDL Number: MFCD17677156
• PubChem SID: 162031148
• PubChem CID: 15369693

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0360657
• LogD (pH = 7.4): 1.0360657
• Log P: 1.0360657
• Molar Refractivity: 36.0459 cm^3
• Polarizability: 13.926483 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%