2,6-difluoro-3-iodopyridine

• ChemBase ID: 99909
• Molecular Formular: C5H2F2IN
• Molecular Mass: 240.9773564
• Monoisotopic Mass: 240.92000351
• SMILES: n1c(c(ccc1F)I)F
• Canonical SMILES: Fc1ccc(c(n1)F)I
• InChI: InChI=1S/C5H2F2IN/c6-4-2-1-3(8)5(7)9-4/h1-2H
• InChIKey: UTWLONSABCGCBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-3-iodopyridine
• IUPAC Traditional name: 2,6-difluoro-3-iodopyridine
• Synonyms: 2,6-Difluoro-3-iodopyridine

Database IDs

• CAS Number: 685517-67-3
• MDL Number: MFCD09743595
• PubChem SID: 162086156
• PubChem CID: 19768433

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7577832
• LogD (pH = 7.4): 2.7577832
• Log P: 2.7577832
• Molar Refractivity: 39.7258 cm^3
• Polarizability: 14.546959 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 41-42°C
• Boiling Point: 85-87°C/15mm

Safety Information

• Storage Warning: Irritant/Light Sensitive/Store under Argon/Keep Cold