7-chloro-2-methylquinolin-4-ol

• ChemBase ID: 816025
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: c1(cc2c(cc1)c(cc(n2)C)O)Cl
• Canonical SMILES: Clc1ccc2c(c1)nc(cc2O)C
• InChI: InChI=1S/C10H8ClNO/c1-6-4-10(13)8-3-2-7(11)5-9(8)12-6/h2-5H,1H3,(H,12,13)
• InChIKey: TWYVITBRDNFBNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-2-methylquinolin-4-ol
• IUPAC Traditional name: 7-chloro-2-methylquinolin-4-ol
• Synonyms: 7-CHLORO-2-METHYL-4-QUINOLINOL

Database IDs

• CAS Number: 15644-88-9

CALCULATED PROPERTIES

• Acid pKa: 10.734347
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5623727
• LogD (pH = 7.4): 2.5625474
• Log P: 2.56275
• Molar Refractivity: 51.3565 cm^3
• Polarizability: 21.174797 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%