5,8-dichloroquinolin-2-ol

• ChemBase ID: 247457
• Molecular Formular: C9H5Cl2NO
• Molecular Mass: 214.0481
• Monoisotopic Mass: 212.97481915
• SMILES: c12c(ccc(n1)O)c(ccc2Cl)Cl
• Canonical SMILES: Oc1ccc2c(n1)c(Cl)ccc2Cl
• InChI: InChI=1S/C9H5Cl2NO/c10-6-2-3-7(11)9-5(6)1-4-8(13)12-9/h1-4H,(H,12,13)
• InChIKey: LRBMALNNSRXZJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dichloroquinolin-2-ol
• IUPAC Traditional name: 5,8-dichloroquinolin-2-ol
• Synonyms: 5,8-dichloroquinolin-2-ol

Database IDs

• MDL Number: MFCD19678294
• PubChem SID: 164303367
• PubChem CID: 53429253

CALCULATED PROPERTIES

• Acid pKa: 11.518201
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6298811
• LogD (pH = 7.4): 3.6298494
• Log P: 3.629882
• Molar Refractivity: 51.8833 cm^3
• Polarizability: 21.315245 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 194 - 196°C
• Hydrophobicity(logP): 2.436

Product Information

• Purity: 95%