8-chloro-2-methylquinolin-4-ol

• ChemBase ID: 815885
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: c1c(c2c(cc1)c(cc(n2)C)O)Cl
• Canonical SMILES: Cc1cc(O)c2c(n1)c(Cl)ccc2
• InChI: InChI=1S/C10H8ClNO/c1-6-5-9(13)7-3-2-4-8(11)10(7)12-6/h2-5H,1H3,(H,12,13)
• InChIKey: FDKAQNKHXVJOJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-methylquinolin-4-ol
• IUPAC Traditional name: 8-chloro-2-methylquinolin-4-ol
• Synonyms: 8-CHLORO-2-METHYLQUINOLIN-4-OL

Database IDs

• CAS Number: 5236-87-3

CALCULATED PROPERTIES

• Acid pKa: 10.671954
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5626194
• LogD (pH = 7.4): 2.56252
• Log P: 2.56275
• Molar Refractivity: 51.3565 cm^3
• Polarizability: 21.195766 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%