2-iodoquinoline-3-carbaldehyde

• ChemBase ID: 121347
• Molecular Formular: C10H6INO
• Molecular Mass: 283.06521
• Monoisotopic Mass: 282.94941182
• SMILES: n1c(c(cc2c1cccc2)C=O)I
• Canonical SMILES: O=Cc1cc2ccccc2nc1I
• InChI: InChI=1S/C10H6INO/c11-10-8(6-13)5-7-3-1-2-4-9(7)12-10/h1-6H
• InChIKey: RACRQJGNJCQAFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodoquinoline-3-carbaldehyde
• IUPAC Traditional name: 2-iodoquinoline-3-carbaldehyde
• Synonyms: 2-iodoquinoline-3-carbaldehyde

Database IDs

• PubChem SID: 162215700
• PubChem CID: 10989700

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8049338
• LogD (pH = 7.4): 2.804935
• Log P: 2.804935
• Molar Refractivity: 59.6339 cm^3
• Polarizability: 23.958769 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true