8-chloroquinolin-4-ol

• ChemBase ID: 118761
• Molecular Formular: C9H6ClNO
• Molecular Mass: 179.60304
• Monoisotopic Mass: 179.0137915
• SMILES: c12c(nccc1O)c(Cl)ccc2
• Canonical SMILES: Oc1ccnc2c1cccc2Cl
• InChI: InChI=1S/C9H6ClNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-5H,(H,11,12)
• InChIKey: SUZPLFOSYVTCLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloroquinolin-4-ol
• IUPAC Traditional name: 8-chloroquinolin-4-ol
• Synonyms: 8-Chloroquinolin-4-ol; 8-CHLORO-4-HYDROXYQUINOLINE

Database IDs

• CAS Number: 57797-97-4
• MDL Number: MFCD00272388
• PubChem SID: 162102828
• PubChem CID: 265885

CALCULATED PROPERTIES

• Acid pKa: 10.506039
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4313247
• LogD (pH = 7.4): 2.431045
• Log P: 2.4313798
• Molar Refractivity: 46.765 cm^3
• Polarizability: 19.431482 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.388

Product Information

• Purity: 95+%; 98%