4-chloro-7-iodoquinoline

• ChemBase ID: 293576
• Molecular Formular: C9H5ClIN
• Molecular Mass: 289.50017
• Monoisotopic Mass: 288.91552485
• SMILES: Clc1ccnc2cc(I)ccc12
• Canonical SMILES: Ic1ccc2c(c1)nccc2Cl
• InChI: InChI=1S/C9H5ClIN/c10-8-3-4-12-9-5-6(11)1-2-7(8)9/h1-5H
• InChIKey: JKZGHMPCBJVWEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-7-iodoquinoline
• IUPAC Traditional name: 4-chloro-7-iodoquinoline
• Synonyms: 7-Iodo-4-chloroquinoline

Database IDs

• CAS Number: 22200-50-6
• PubChem SID: 180679107
• PubChem CID: 10589540

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6632707
• LogD (pH = 7.4): 3.6638818
• Log P: 3.6638896
• Molar Refractivity: 58.1466 cm^3
• Polarizability: 23.876366 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%