7-chloro-8-methylquinolin-2-ol

• ChemBase ID: 247529
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: c12nc(ccc2ccc(c1C)Cl)O
• Canonical SMILES: Oc1ccc2c(n1)c(C)c(cc2)Cl
• InChI: InChI=1S/C10H8ClNO/c1-6-8(11)4-2-7-3-5-9(13)12-10(6)7/h2-5H,1H3,(H,12,13)
• InChIKey: DCEZIJRNCUFBBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-8-methylquinolin-2-ol
• IUPAC Traditional name: 7-chloro-8-methylquinolin-2-ol
• Synonyms: 7-chloro-8-methylquinolin-2-ol

Database IDs

• MDL Number: MFCD15143579
• PubChem SID: 164303439
• PubChem CID: 5251046

CALCULATED PROPERTIES

• Acid pKa: 12.224272
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5392442
• LogD (pH = 7.4): 3.539252
• Log P: 3.5392587
• Molar Refractivity: 52.1197 cm^3
• Polarizability: 21.175737 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 269 - 271°C
• Hydrophobicity(logP): 2.171

Product Information

• Purity: 95%