5,7-dichloro-2-methylquinolin-4-ol

• ChemBase ID: 816048
• Molecular Formular: C10H7Cl2NO
• Molecular Mass: 228.07468
• Monoisotopic Mass: 226.99046921
• SMILES: c1(cc2c(c(c1)Cl)c(cc(n2)C)O)Cl
• Canonical SMILES: Clc1cc(Cl)c2c(c1)nc(cc2O)C
• InChI: InChI=1S/C10H7Cl2NO/c1-5-2-9(14)10-7(12)3-6(11)4-8(10)13-5/h2-4H,1H3,(H,13,14)
• InChIKey: PCNMMXRWXDHDNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dichloro-2-methylquinolin-4-ol
• IUPAC Traditional name: 5,7-dichloro-2-methylquinolin-4-ol
• Synonyms: 5,7-DICHLORO-2-METHYL-4-QUINOLINOL

Database IDs

• CAS Number: 203626-49-7

CALCULATED PROPERTIES

• Acid pKa: 10.272234
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1666737
• LogD (pH = 7.4): 3.1662211
• Log P: 3.1667948
• Molar Refractivity: 56.1613 cm^3
• Polarizability: 23.064507 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%