(2-chloro-6-methoxyquinolin-3-yl)methanol

• ChemBase ID: 101780
• Molecular Formular: C11H10ClNO2
• Molecular Mass: 223.6556
• Monoisotopic Mass: 223.04000625
• SMILES: n1c(c(cc2c1ccc(c2)OC)CO)Cl
• Canonical SMILES: COc1ccc2c(c1)cc(c(n2)Cl)CO
• InChI: InChI=1S/C11H10ClNO2/c1-15-9-2-3-10-7(5-9)4-8(6-14)11(12)13-10/h2-5,14H,6H2,1H3
• InChIKey: AKKPSGFLKITYGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-6-methoxyquinolin-3-yl)methanol
• IUPAC Traditional name: (2-chloro-6-methoxyquinolin-3-yl)methanol
• Synonyms: 2-Chloro-6-methoxyquinoline-3-methanol

Database IDs

• CAS Number: 92172-83-3
• MDL Number: MFCD02232332
• PubChem SID: 162088874
• PubChem CID: 865110

CALCULATED PROPERTIES

• Acid pKa: 14.461874
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0300984
• LogD (pH = 7.4): 2.0301013
• Log P: 2.0301013
• Molar Refractivity: 59.1245 cm^3
• Polarizability: 23.838297 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%