2,3,5,6-tetrachloro-4-iodopyridine

• ChemBase ID: 80338
• Molecular Formular: C5Cl4IN
• Molecular Mass: 342.77667
• Monoisotopic Mass: 340.78295773
• SMILES: n1c(c(c(c(c1Cl)Cl)I)Cl)Cl
• Canonical SMILES: Clc1nc(Cl)c(c(c1Cl)I)Cl
• InChI: InChI=1S/C5Cl4IN/c6-1-3(10)2(7)5(9)11-4(1)8
• InChIKey: BTABLTRRNRROBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5,6-tetrachloro-4-iodopyridine
• IUPAC Traditional name: 2,3,5,6-tetrachloro-4-iodopyridine
• Synonyms: 4-Iodo-2,3,5,6-tetrachloropyridine

Database IDs

• CAS Number: 30332-35-5
• MDL Number: MFCD00093428
• PubChem SID: 162067458
• PubChem CID: 2776018

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.541051
• LogD (pH = 7.4): 4.541051
• Log P: 4.541051
• Molar Refractivity: 58.6054 cm^3
• Polarizability: 22.901148 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 201-202°C

Safety Information

• Storage Warning: Harmful