2-chloro-8-methylquinoline

• ChemBase ID: 291443
• Molecular Formular: C10H8ClN
• Molecular Mass: 177.63022
• Monoisotopic Mass: 177.03452694
• SMILES: Cc1c2nc(Cl)ccc2ccc1
• Canonical SMILES: Clc1ccc2c(n1)c(C)ccc2
• InChI: InChI=1S/C10H8ClN/c1-7-3-2-4-8-5-6-9(11)12-10(7)8/h2-6H,1H3
• InChIKey: ZLKRFLIUXVCYKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-8-methylquinoline
• IUPAC Traditional name: 2-chloro-8-methyl-quinoline
• Synonyms: 2-Chloro-8-methylquinoline

Database IDs

• CAS Number: 4225-85-8
• MDL Number: MFCD11108682
• PubChem SID: 180676974
• PubChem CID: 21540195

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4685388
• LogD (pH = 7.4): 3.4685438
• Log P: 3.4685438
• Molar Refractivity: 50.8866 cm^3
• Polarizability: 20.659433 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%