2,4-difluoro-3-iodopyridine

• ChemBase ID: 288057
• Molecular Formular: C5H2F2IN
• Molecular Mass: 240.9773564
• Monoisotopic Mass: 240.92000351
• SMILES: Ic1c(F)ccnc1F
• Canonical SMILES: Ic1c(F)ccnc1F
• InChI: InChI=1S/C5H2F2IN/c6-3-1-2-9-5(7)4(3)8/h1-2H
• InChIKey: AYKASHJPLZSRDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 837364-88-2
• MDL Number: MFCD09029861
• PubChem SID: 180673588
• PubChem CID: 12175804

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: 14.555414 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%