2,5-difluoro-4-iodopyridine

• ChemBase ID: 54404
• Molecular Formular: C5H2F2IN
• Molecular Mass: 240.9773564
• Monoisotopic Mass: 240.92000351
• SMILES: c1(cc(c(cn1)F)I)F
• Canonical SMILES: Fc1ncc(c(c1)I)F
• InChI: InChI=1S/C5H2F2IN/c6-3-2-9-5(7)1-4(3)8/h1-2H
• InChIKey: OBVRKNZQNKGNTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-difluoro-4-iodopyridine
• IUPAC Traditional name: 2,5-difluoro-4-iodopyridine
• Synonyms: 2,5-Difluoro-4-iodopyridine

Database IDs

• CAS Number: 1017793-20-2
• MDL Number: MFCD11040606
• PubChem SID: 162059167
• PubChem CID: 53249211

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: 14.54228 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%