6-iodoquinoxaline

• ChemBase ID: 798226
• Molecular Formular: C8H5IN2
• Molecular Mass: 256.04317
• Monoisotopic Mass: 255.94974617
• SMILES: c1cc2c(cc1I)nccn2
• Canonical SMILES: Ic1ccc2c(c1)nccn2
• InChI: InChI=1S/C8H5IN2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H
• InChIKey: NWQDPVJVUFEWLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-iodoquinoxaline
• IUPAC Traditional name: 6-iodoquinoxaline
• Synonyms: Quinoxaline, 6-iodo

Database IDs

• CAS Number: 50998-18-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2280085
• LogD (pH = 7.4): 2.2280226
• Log P: 2.2280228
• Molar Refractivity: 50.8129 cm^3
• Polarizability: 21.092794 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%