2,3-difluoro-4-iodopyridine

• ChemBase ID: 54403
• Molecular Formular: C5H2F2IN
• Molecular Mass: 240.9773564
• Monoisotopic Mass: 240.92000351
• SMILES: c1(c(c(ccn1)I)F)F
• Canonical SMILES: Fc1c(I)ccnc1F
• InChI: InChI=1S/C5H2F2IN/c6-4-3(8)1-2-9-5(4)7/h1-2H
• InChIKey: AIXBVJWFQNYGJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-difluoro-4-iodopyridine
• IUPAC Traditional name: 2,3-difluoro-4-iodopyridine
• Synonyms: 2,3-Difluoro-4-iodopyridine

Database IDs

• CAS Number: 851386-34-0
• MDL Number: MFCD09909609
• PubChem SID: 162059166
• PubChem CID: 11447837

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3638525
• LogD (pH = 7.4): 2.3638525
• Log P: 2.3638525
• Molar Refractivity: 38.7111 cm^3
• Polarizability: 14.539585 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%