6-iodoquinolin-4-ol

• ChemBase ID: 256414
• Molecular Formular: C9H6INO
• Molecular Mass: 271.05451
• Monoisotopic Mass: 270.94941182
• SMILES: c12c(nccc1O)ccc(c2)I
• Canonical SMILES: Ic1ccc2c(c1)c(O)ccn2
• InChI: InChI=1S/C9H6INO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12)
• InChIKey: ZAZOVHUNVUSQMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-iodoquinolin-4-ol
• IUPAC Traditional name: 6-iodoquinolin-4-ol
• Synonyms: 6-iodoquinolin-4-ol; 4-Hydroxy-6-iodoquinoline

Database IDs

• CAS Number: 342617-07-6
• MDL Number: MFCD06808826
• PubChem SID: 164312324
• PubChem CID: 5250493

CALCULATED PROPERTIES

• Acid pKa: 10.504131
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7561746
• LogD (pH = 7.4): 2.7559426
• Log P: 2.7562797
• Molar Refractivity: 55.3227 cm^3
• Polarizability: 22.58527 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.536

Product Information

• Purity: 95%; 95+%