2,5-dichloro-4-iodopyridine

• ChemBase ID: 801134
• Molecular Formular: C5H2Cl2IN
• Molecular Mass: 273.88655
• Monoisotopic Mass: 272.86090243
• SMILES: n1c(cc(c(c1)Cl)I)Cl
• Canonical SMILES: Clc1ncc(c(c1)I)Cl
• InChI: InChI=1S/C5H2Cl2IN/c6-3-2-9-5(7)1-4(3)8/h1-2H
• InChIKey: IWCZLVRNVBSAPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 796851-03-1

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: 18.742079 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%