8-chloro-6-methylquinoline

• ChemBase ID: 291792
• Molecular Formular: C10H8ClN
• Molecular Mass: 177.63022
• Monoisotopic Mass: 177.03452694
• SMILES: Cc1cc(Cl)c2ncccc2c1
• Canonical SMILES: Cc1cc2cccnc2c(c1)Cl
• InChI: InChI=1S/C10H8ClN/c1-7-5-8-3-2-4-12-10(8)9(11)6-7/h2-6H,1H3
• InChIKey: YCKJRSIWSMRLCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 19655-46-0
• MDL Number: MFCD18411263
• PubChem SID: 180677323
• PubChem CID: 57917471

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2466023
• LogD (pH = 7.4): 3.2483442
• Log P: 3.2483666
• Molar Refractivity: 49.8253 cm^3
• Polarizability: 20.620663 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%