2-chloro-6-iodoquinoline

• ChemBase ID: 800800
• Molecular Formular: C9H5ClIN
• Molecular Mass: 289.50017
• Monoisotopic Mass: 288.91552485
• SMILES: c1cc2c(cc1I)ccc(n2)Cl
• Canonical SMILES: Ic1ccc2c(c1)ccc(n2)Cl
• InChI: InChI=1S/C9H5ClIN/c10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-5H
• InChIKey: UGLKNANWWDCXKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-iodoquinoline
• IUPAC Traditional name: 2-chloro-6-iodoquinoline
• Synonyms: 2-Chloro-6-iodo-quinoline

Database IDs

• CAS Number: 124467-20-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8840663
• LogD (pH = 7.4): 3.8840668
• Log P: 3.8840668
• Molar Refractivity: 59.2079 cm^3
• Polarizability: 23.92356 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%