5-chloro-8-methylquinolin-2-ol

• ChemBase ID: 247526
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: c12c(ccc(n1)O)c(ccc2C)Cl
• Canonical SMILES: Oc1ccc2c(n1)c(C)ccc2Cl
• InChI: InChI=1S/C10H8ClNO/c1-6-2-4-8(11)7-3-5-9(13)12-10(6)7/h2-5H,1H3,(H,12,13)
• InChIKey: ODLUFKWKOCZBPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-8-methylquinolin-2-ol
• IUPAC Traditional name: 5-chloro-8-methylquinolin-2-ol
• Synonyms: 5-chloro-8-methylquinolin-2-ol

Database IDs

• MDL Number: MFCD19678298
• PubChem SID: 164303436
• PubChem CID: 12558855

CALCULATED PROPERTIES

• Acid pKa: 11.924474
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5392418
• LogD (pH = 7.4): 3.5392456
• Log P: 3.5392587
• Molar Refractivity: 52.1197 cm^3
• Polarizability: 21.180449 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 254 - 256°C
• Hydrophobicity(logP): 2.171

Product Information

• Purity: 95%