2,7-dichloro-8-methylquinoline

• ChemBase ID: 247291
• Molecular Formular: C10H7Cl2N
• Molecular Mass: 212.07528
• Monoisotopic Mass: 210.99555459
• SMILES: c12nc(ccc2ccc(c1C)Cl)Cl
• Canonical SMILES: Clc1ccc2c(n1)c(C)c(cc2)Cl
• InChI: InChI=1S/C10H7Cl2N/c1-6-8(11)4-2-7-3-5-9(12)13-10(6)7/h2-5H,1H3
• InChIKey: FJWUNDFOALTTAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dichloro-8-methylquinoline
• IUPAC Traditional name: 2,7-dichloro-8-methylquinoline
• Synonyms: 2,7-dichloro-8-methylquinoline

Database IDs

• CAS Number: 1215205-97-2
• MDL Number: MFCD15143625
• PubChem SID: 164303201
• PubChem CID: 53217380

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: 22.49054 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92 - 94°C
• Hydrophobicity(logP): 4.06

Product Information

• Purity: 95%; 95+%