8-chloro-6-methylquinolin-4-ol

• ChemBase ID: 87875
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: n1ccc(c2cc(cc(c12)Cl)C)O
• Canonical SMILES: Cc1cc(Cl)c2c(c1)c(O)ccn2
• InChI: InChI=1S/C10H8ClNO/c1-6-4-7-9(13)2-3-12-10(7)8(11)5-6/h2-5H,1H3,(H,12,13)
• InChIKey: CBNOHMAHSAFTKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-6-methylquinolin-4-ol
• IUPAC Traditional name: 8-chloro-6-methylquinolin-4-ol
• Synonyms: 8-Chloro-6-methylquinolin-4-ol; 8-Chloro-4-hydroxy-6-methylquinoline

Database IDs

• CAS Number: 203626-40-8
• MDL Number: MFCD00272441
• PubChem SID: 162074915
• PubChem CID: 17039605

CALCULATED PROPERTIES

• Acid pKa: 10.735192
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9447327
• LogD (pH = 7.4): 2.944603
• Log P: 2.9448013
• Molar Refractivity: 51.8062 cm^3
• Polarizability: 21.195995 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%