2-chloro-3-iodoquinoline

• ChemBase ID: 294242
• Molecular Formular: C9H5ClIN
• Molecular Mass: 289.50017
• Monoisotopic Mass: 288.91552485
• SMILES: Ic1cc2ccccc2nc1Cl
• Canonical SMILES: Ic1cc2ccccc2nc1Cl
• InChI: InChI=1S/C9H5ClIN/c10-9-7(11)5-6-3-1-2-4-8(6)12-9/h1-5H
• InChIKey: VAKSSUOSONRGPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-iodoquinoline
• IUPAC Traditional name: 2-chloro-3-iodoquinoline
• Synonyms: 2-Chloro-3-iodoquinoline

Database IDs

• CAS Number: 128676-85-7
• PubChem SID: 180679773
• PubChem CID: 14616623

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8840666
• LogD (pH = 7.4): 3.8840668
• Log P: 3.8840668
• Molar Refractivity: 59.2079 cm^3
• Polarizability: 23.947847 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%