6-iodoquinolin-2-ol

• ChemBase ID: 288606
• Molecular Formular: C9H6INO
• Molecular Mass: 271.05451
• Monoisotopic Mass: 270.94941182
• SMILES: Oc1nc2ccc(I)cc2cc1
• Canonical SMILES: Ic1ccc2c(c1)ccc(n2)O
• InChI: InChI=1S/C9H6INO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12)
• InChIKey: HRQARRHZNIORQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-iodoquinolin-2-ol
• IUPAC Traditional name: 6-iodoquinolin-2-ol
• Synonyms: 6-Iodoquinolin-2-ol

Database IDs

• CAS Number: 99455-01-3
• PubChem SID: 180674137
• PubChem CID: 13836184

CALCULATED PROPERTIES

• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 11.772338
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3507257
• LogD (pH = 7.4): 3.3507187
• Log P: 3.350737
• Molar Refractivity: 55.6362 cm^3
• Polarizability: 22.586937 Å^3

PROPERTIES

Product Information

• Purity: 95+%