5,8-dichloroquinolin-2-amine

• ChemBase ID: 247544
• Molecular Formular: C9H6Cl2N2
• Molecular Mass: 213.06334
• Monoisotopic Mass: 211.99080356
• SMILES: c12c(ccc(n1)N)c(ccc2Cl)Cl
• Canonical SMILES: Nc1ccc2c(n1)c(Cl)ccc2Cl
• InChI: InChI=1S/C9H6Cl2N2/c10-6-2-3-7(11)9-5(6)1-4-8(12)13-9/h1-4H,(H2,12,13)
• InChIKey: KQUJYLDKMMCLPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dichloroquinolin-2-amine
• IUPAC Traditional name: 5,8-dichloroquinolin-2-amine
• Synonyms: 5,8-dichloroquinolin-2-amine

Database IDs

• MDL Number: MFCD19678565
• PubChem SID: 164303454
• PubChem CID: 64209120

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0960345
• LogD (pH = 7.4): 3.1044135
• Log P: 3.1045215
• Molar Refractivity: 54.6028 cm^3
• Polarizability: 21.834227 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 3.253

Product Information

• Purity: 95%