4-(3-iodophenoxy)pyridine

• ChemBase ID: 269658
• Molecular Formular: C11H8INO
• Molecular Mass: 297.09179
• Monoisotopic Mass: 296.96506188
• SMILES: c1c(Oc2ccncc2)cccc1I
• Canonical SMILES: Ic1cccc(c1)Oc1ccncc1
• InChI: InChI=1S/C11H8INO/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-8H
• InChIKey: PJKJELUHQCPKAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-iodophenoxy)pyridine
• IUPAC Traditional name: 4-(3-iodophenoxy)pyridine
• Synonyms: 4-(3-iodophenoxy)pyridine

Database IDs

• MDL Number: MFCD14659279
• PubChem SID: 164325568
• PubChem CID: 50989462

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7157054
• LogD (pH = 7.4): 3.1713533
• Log P: 3.1848052
• Molar Refractivity: 63.5044 cm^3
• Polarizability: 24.832169 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.866

Product Information

• Purity: 95%