2-(2-iodophenyl)pyridine

• ChemBase ID: 814062
• Molecular Formular: C11H8IN
• Molecular Mass: 281.09239
• Monoisotopic Mass: 280.97014726
• SMILES: n1c(cccc1)c1c(cccc1)I
• Canonical SMILES: Ic1ccccc1c1ccccn1
• InChI: InChI=1S/C11H8IN/c12-10-6-2-1-5-9(10)11-7-3-4-8-13-11/h1-8H
• InChIKey: HMNMKCFTSAKOQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-iodophenyl)pyridine
• IUPAC Traditional name: 2-(2-iodophenyl)pyridine
• Synonyms: 2-(2-iodophenyl)pyridine

Database IDs

• CAS Number: 897440-10-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7079072
• LogD (pH = 7.4): 3.7174702
• Log P: 3.7175937
• Molar Refractivity: 62.0278 cm^3
• Polarizability: 25.32325 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%