6-chloro-4-methoxyquinolin-2-ol

• ChemBase ID: 804503
• Molecular Formular: C10H8ClNO2
• Molecular Mass: 209.62902
• Monoisotopic Mass: 209.02435618
• SMILES: c1cc2c(cc1Cl)c(cc(n2)O)OC
• Canonical SMILES: COc1cc(O)nc2c1cc(Cl)cc2
• InChI: InChI=1S/C10H8ClNO2/c1-14-9-5-10(13)12-8-3-2-6(11)4-7(8)9/h2-5H,1H3,(H,12,13)
• InChIKey: AOIYJHMTVMGIFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-4-methoxyquinolin-2-ol
• IUPAC Traditional name: 6-chloro-4-methoxyquinolin-2-ol
• Synonyms: 6-CHLORO-4-METHOXYQUINOLIN-2-OL

Database IDs

• CAS Number: 865817-83-0

CALCULATED PROPERTIES

• Acid pKa: 11.186337
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.868164
• LogD (pH = 7.4): 2.8680959
• Log P: 2.8681662
• Molar Refractivity: 53.5417 cm^3
• Polarizability: 21.925386 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%