7-chloroquinolin-8-ol

• ChemBase ID: 164619
• Molecular Formular: C9H6ClNO
• Molecular Mass: 179.60304
• Monoisotopic Mass: 179.0137915
• SMILES: c1(ccc2c(c1O)nccc2)Cl
• Canonical SMILES: Clc1ccc2c(c1O)nccc2
• InChI: InChI=1S/C9H6ClNO/c10-7-4-3-6-2-1-5-11-8(6)9(7)12/h1-5,12H
• InChIKey: RMJFNYXBFISIET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloroquinolin-8-ol
• IUPAC Traditional name: 7-chloroquinolin-8-ol
• Synonyms: 7-Chloro-8-hydroxyquinoline; 7-Chloro-8-quinolinol; NSC 673451; 7-Chloro-8-quinolinol

Database IDs

• CAS Number: 876-86-8
• PubChem SID: 162258754
• PubChem CID: 24691

CALCULATED PROPERTIES

• Acid pKa: 7.436928
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.396929
• LogD (pH = 7.4): 2.140247
• Log P: 2.4313798
• Molar Refractivity: 46.765 cm^3
• Polarizability: 19.435032 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - C379870

7-Chloro-8-quinolinol is an intermediate used in the preparation of qunoline derivative for the treatment of neuropathy.

REFERENCES

• Gershon, H., et al.: Antimicrob. Agents Chemother., 1, 373 (1972)
• Gershon, H., et al.: J. Med. Chem., 17, 824 (1972)
• Gershon, H., et al.: J. Pharm. Sci., 80, 542 (1972)