5,8-dichloro-2-methylquinolin-4-ol

• ChemBase ID: 816024
• Molecular Formular: C10H7Cl2NO
• Molecular Mass: 228.07468
• Monoisotopic Mass: 226.99046921
• SMILES: c1c(c2c(c(c1)Cl)c(cc(n2)C)O)Cl
• Canonical SMILES: Cc1cc(O)c2c(n1)c(Cl)ccc2Cl
• InChI: InChI=1S/C10H7Cl2NO/c1-5-4-8(14)9-6(11)2-3-7(12)10(9)13-5/h2-4H,1H3,(H,13,14)
• InChIKey: XVRYYBYRGBLMKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dichloro-2-methylquinolin-4-ol
• IUPAC Traditional name: 5,8-dichloro-2-methylquinolin-4-ol
• Synonyms: 5,8-DICHLORO-2-METHYL-4-QUINOLINOL

Database IDs

• CAS Number: 1447-40-1

CALCULATED PROPERTIES

• Acid pKa: 10.2058735
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1667514
• LogD (pH = 7.4): 3.1661282
• Log P: 3.1667948
• Molar Refractivity: 56.1613 cm^3
• Polarizability: 23.079721 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%