5-iodo-2-phenoxypyridine

• ChemBase ID: 80699
• Molecular Formular: C11H8INO
• Molecular Mass: 297.09179
• Monoisotopic Mass: 296.96506188
• SMILES: n1c(ccc(c1)I)Oc1ccccc1
• Canonical SMILES: Ic1ccc(nc1)Oc1ccccc1
• InChI: InChI=1S/C11H8INO/c12-9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H
• InChIKey: JCEXQQNAXWYXRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 352018-92-9
• MDL Number: MFCD02681952
• PubChem SID: 162067819
• PubChem CID: 2776503

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7792604
• LogD (pH = 7.4): 3.7792625
• Log P: 3.7792625
• Molar Refractivity: 63.8179 cm^3
• Polarizability: 24.843845 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 95%