2-iodo-5-phenylpyridine

• ChemBase ID: 797555
• Molecular Formular: C11H8IN
• Molecular Mass: 281.09239
• Monoisotopic Mass: 280.97014726
• SMILES: n1c(ccc(c1)c1ccccc1)I
• Canonical SMILES: Ic1ccc(cn1)c1ccccc1
• InChI: InChI=1S/C11H8IN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H
• InChIKey: OJEKXUIQUYRHNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-5-phenylpyridine
• IUPAC Traditional name: 2-iodo-5-phenylpyridine
• Synonyms: 2-Iodo-5-phenylpyridine

Database IDs

• CAS Number: 120281-56-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3643095
• LogD (pH = 7.4): 3.3643305
• Log P: 3.3643308
• Molar Refractivity: 62.1079 cm^3
• Polarizability: 25.40451 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%