4,5-dichloro-2-iodopyridine

• ChemBase ID: 814421
• Molecular Formular: C5H2Cl2IN
• Molecular Mass: 273.88655
• Monoisotopic Mass: 272.86090243
• SMILES: n1c(cc(c(c1)Cl)Cl)I
• Canonical SMILES: Ic1ncc(c(c1)Cl)Cl
• InChI: InChI=1S/C5H2Cl2IN/c6-3-1-5(8)9-2-4(3)7/h1-2H
• InChIKey: VDEBUJBVRKLCEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1196152-86-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9251947
• LogD (pH = 7.4): 2.9251947
• Log P: 2.9251947
• Molar Refractivity: 46.5813 cm^3
• Polarizability: 18.782244 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%