5,7-dichloroquinolin-2-amine

• ChemBase ID: 243465
• Molecular Formular: C9H6Cl2N2
• Molecular Mass: 213.06334
• Monoisotopic Mass: 211.99080356
• SMILES: c12nc(ccc1c(cc(c2)Cl)Cl)N
• Canonical SMILES: Clc1cc(Cl)c2c(c1)nc(cc2)N
• InChI: InChI=1S/C9H6Cl2N2/c10-5-3-7(11)6-1-2-9(12)13-8(6)4-5/h1-4H,(H2,12,13)
• InChIKey: FAPMKWIFWPNBHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dichloroquinolin-2-amine
• IUPAC Traditional name: 5,7-dichloroquinolin-2-amine
• Synonyms: 5,7-dichloroquinolin-2-amine

Database IDs

• MDL Number: MFCD19678557
• PubChem SID: 164299375
• PubChem CID: 64208704

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0542738
• LogD (pH = 7.4): 3.1038501
• Log P: 3.1045215
• Molar Refractivity: 54.6028 cm^3
• Polarizability: 21.81639 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.253

Product Information

• Purity: 95%