2-chloro-4-methylquinolin-6-ol

• ChemBase ID: 12485
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: c1(ccc2c(c1)c(cc(n2)Cl)C)O
• Canonical SMILES: Oc1ccc2c(c1)c(C)cc(n2)Cl
• InChI: InChI=1S/C10H8ClNO/c1-6-4-10(11)12-9-3-2-7(13)5-8(6)9/h2-5,13H,1H3
• InChIKey: QXJYCJKEMJEVDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-methylquinolin-6-ol
• IUPAC Traditional name: 2-chloro-4-methylquinolin-6-ol
• Synonyms: 2-Chloro-4-methyl-quinolin-6-ol

Database IDs

• CAS Number: 41957-91-9
• MDL Number: MFCD00579691
• PubChem SID: 160975792
• PubChem CID: 766382

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 9.620424
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1649077
• LogD (pH = 7.4): 3.1623874
• Log P: 3.1649785
• Molar Refractivity: 52.8675 cm^3
• Polarizability: 21.22898 Å^3
• Polar Surface Area: 33.12 Å^2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%