6-chloro-4-methylquinolin-2-ol

• ChemBase ID: 816250
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: c1cc2c(cc1Cl)c(cc(n2)O)C
• Canonical SMILES: Clc1ccc2c(c1)c(C)cc(n2)O
• InChI: InChI=1S/C10H8ClNO/c1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5H,1H3,(H,12,13)
• InChIKey: VQMIYHVFVPSLGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-4-methylquinolin-2-ol
• IUPAC Traditional name: 6-chloro-4-methylquinolin-2-ol
• Synonyms: 6-CHLORO-4-METHYLQUINOLIN-2-OL

Database IDs

• CAS Number: 2585/4/8

CALCULATED PROPERTIES

• Acid pKa: 11.814123
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5391755
• LogD (pH = 7.4): 3.539241
• Log P: 3.5392587
• Molar Refractivity: 52.1197 cm^3
• Polarizability: 21.170351 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%