6-chloro-8-methylquinoline

• ChemBase ID: 164441
• Molecular Formular: C10H8ClN
• Molecular Mass: 177.63022
• Monoisotopic Mass: 177.03452694
• SMILES: c1nc2c(cc1)cc(cc2C)Cl
• Canonical SMILES: Clc1cc2cccnc2c(c1)C
• InChI: InChI=1S/C10H8ClN/c1-7-5-9(11)6-8-3-2-4-12-10(7)8/h2-6H,1H3
• InChIKey: RORDIMHIJASOBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-8-methylquinoline
• IUPAC Traditional name: 6-chloro-8-methylquinoline
• Synonyms: 6-Chloro-8-methyl-quinoline; 6-Chloro-8-methylquinoline

Database IDs

• CAS Number: 19655-50-6
• MDL Number: MFCD10686879
• PubChem SID: 162258576
• PubChem CID: 20223313

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2426367
• LogD (pH = 7.4): 3.2482939
• Log P: 3.2483666
• Molar Refractivity: 49.8253 cm^3
• Polarizability: 20.594807 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: White Solid
• Melting Point: 62 - 64°C
• Hydrophobicity(logP): 3.304

Product Information

• Purity: 95%; 95+%