2,5-dichloro-8-methylquinoline

• ChemBase ID: 247026
• Molecular Formular: C10H7Cl2N
• Molecular Mass: 212.07528
• Monoisotopic Mass: 210.99555459
• SMILES: c12c(ccc(n1)Cl)c(ccc2C)Cl
• Canonical SMILES: Clc1ccc2c(n1)c(C)ccc2Cl
• InChI: InChI=1S/C10H7Cl2N/c1-6-2-4-8(11)7-3-5-9(12)13-10(6)7/h2-5H,1H3
• InChIKey: DYWKIBFRFGZQPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-8-methylquinoline
• IUPAC Traditional name: 2,5-dichloro-8-methylquinoline
• Synonyms: 2,5-dichloro-8-methylquinoline

Database IDs

• MDL Number: MFCD19678392
• PubChem SID: 164302936
• PubChem CID: 64208055

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0725875
• LogD (pH = 7.4): 4.0725884
• Log P: 4.0725884
• Molar Refractivity: 55.6914 cm^3
• Polarizability: 22.49825 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61 - 63°C
• Hydrophobicity(logP): 4.06

Product Information

• Purity: 95%