2,4-dichloro-5-iodopyridine

• ChemBase ID: 71448
• Molecular Formular: C5H2Cl2IN
• Molecular Mass: 273.88655
• Monoisotopic Mass: 272.86090243
• SMILES: c1c(c(cnc1Cl)I)Cl
• Canonical SMILES: Clc1ncc(c(c1)Cl)I
• InChI: InChI=1S/C5H2Cl2IN/c6-3-1-5(7)9-2-4(3)8/h1-2H
• InChIKey: BXGGIBSWLOTEPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-5-iodopyridine
• IUPAC Traditional name: 2,4-dichloro-5-iodopyridine
• Synonyms: 2,4-Dichloro-5-iodopyridine

Database IDs

• CAS Number: 343781-49-7
• MDL Number: MFCD09033755
• PubChem SID: 162037038
• PubChem CID: 10540233

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1127844
• LogD (pH = 7.4): 3.1127844
• Log P: 3.1127844
• Molar Refractivity: 47.9345 cm^3
• Polarizability: 18.7422 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95%