6-chloro-2-methylquinolin-4-ol

• ChemBase ID: 239601
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: c12c(nc(cc1O)C)ccc(c2)Cl
• Canonical SMILES: Clc1ccc2c(c1)c(O)cc(n2)C
• InChI: InChI=1S/C10H8ClNO/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5H,1H3,(H,12,13)
• InChIKey: VGDMRXDQWBBKBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00023981
• PubChem SID: 164295511
• PubChem CID: 606400

CALCULATED PROPERTIES

• Acid pKa: 10.60199
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5624876
• LogD (pH = 7.4): 2.5624785
• Log P: 2.56275
• Molar Refractivity: 51.3565 cm^3
• Polarizability: 21.169153 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.625

Product Information

• Purity: 95%