4-chloro-6-iodoquinoline

• ChemBase ID: 796876
• Molecular Formular: C9H5ClIN
• Molecular Mass: 289.50017
• Monoisotopic Mass: 288.91552485
• SMILES: c1cc2c(cc1I)c(ccn2)Cl
• Canonical SMILES: Ic1ccc2c(c1)c(Cl)ccn2
• InChI: InChI=1S/C9H5ClIN/c10-8-3-4-12-9-2-1-6(11)5-7(8)9/h1-5H
• InChIKey: XPXHGYKMODLJBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-iodoquinoline
• IUPAC Traditional name: 4-chloro-6-iodoquinoline
• Synonyms: 4-Chloro-6-iodoquinoline

Database IDs

• CAS Number: 40107-07-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6634488
• LogD (pH = 7.4): 3.6638842
• Log P: 3.6638896
• Molar Refractivity: 58.1466 cm^3
• Polarizability: 23.876432 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%