2,3,5-trichloro-4-iodopyridine

• ChemBase ID: 43627
• Molecular Formular: C5HCl3IN
• Molecular Mass: 308.33161
• Monoisotopic Mass: 306.82193008
• SMILES: c1(c(c(cnc1Cl)Cl)I)Cl
• Canonical SMILES: Clc1ncc(c(c1Cl)I)Cl
• InChI: InChI=1S/C5HCl3IN/c6-2-1-10-5(8)3(7)4(2)9/h1H
• InChIKey: IPDPWUULSOOSCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-trichloro-4-iodopyridine
• IUPAC Traditional name: 2,3,5-trichloro-4-iodopyridine
• Synonyms: 2,3,5-Trichloro-4-iodopyridine; 4-Iodo-2,3,5-trichloropyridine

Database IDs

• CAS Number: 406676-23-1
• MDL Number: MFCD11044389
• PubChem SID: 162048390
• PubChem CID: 15533856

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.716829
• LogD (pH = 7.4): 3.716829
• Log P: 3.716829
• Molar Refractivity: 52.7393 cm^3
• Polarizability: 20.809084 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 122 °C; 121-122°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold/Light Sensitive
• TSCA Listed: false

Product Information

• Purity: >95%