5-chloro-8-methylquinoline

• ChemBase ID: 291409
• Molecular Formular: C10H8ClN
• Molecular Mass: 177.63022
• Monoisotopic Mass: 177.03452694
• SMILES: Cc1c2ncccc2c(Cl)cc1
• Canonical SMILES: Clc1ccc(c2c1cccn2)C
• InChI: InChI=1S/C10H8ClN/c1-7-4-5-9(11)8-3-2-6-12-10(7)8/h2-6H,1H3
• InChIKey: FOXFUGCJJRDBNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-8-methylquinoline
• IUPAC Traditional name: 5-chloro-8-methylquinoline
• Synonyms: 5-Chloro-8-methylquinoline

Database IDs

• CAS Number: 78941-95-4
• MDL Number: MFCD00463515
• PubChem SID: 180676940
• PubChem CID: 3948385

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2406392
• LogD (pH = 7.4): 3.2482684
• Log P: 3.2483666
• Molar Refractivity: 49.8253 cm^3
• Polarizability: 20.603498 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%