2-chloro-6-methylquinoline

• ChemBase ID: 294253
• Molecular Formular: C10H8ClN
• Molecular Mass: 177.63022
• Monoisotopic Mass: 177.03452694
• SMILES: Cc1ccc2nc(Cl)ccc2c1
• Canonical SMILES: Cc1ccc2c(c1)ccc(n2)Cl
• InChI: InChI=1S/C10H8ClN/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
• InChIKey: FHHZTIXPIXHMLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methylquinoline
• IUPAC Traditional name: 2-chloro-6-methylquinoline
• Synonyms: 2-Chloro-6-methylquinoline; 2-Chloro-6-methyl-quinoline

Database IDs

• CAS Number: 4295-11-8; 4295/11/8
• MDL Number: MFCD00462389
• PubChem SID: 180679784
• PubChem CID: 77974

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4685373
• LogD (pH = 7.4): 3.4685435
• Log P: 3.4685438
• Molar Refractivity: 50.8866 cm^3
• Polarizability: 20.658422 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 96%; 97%; 98%