5-bromo-8-chloroquinolin-2-amine

• ChemBase ID: 249174
• Molecular Formular: C9H6BrClN2
• Molecular Mass: 257.51434
• Monoisotopic Mass: 255.94028788
• SMILES: c12c(ccc(n1)N)c(ccc2Cl)Br
• Canonical SMILES: Nc1ccc2c(n1)c(Cl)ccc2Br
• InChI: InChI=1S/C9H6BrClN2/c10-6-2-3-7(11)9-5(6)1-4-8(12)13-9/h1-4H,(H2,12,13)
• InChIKey: JHGIODPOTYTBKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-8-chloroquinolin-2-amine
• IUPAC Traditional name: 5-bromo-8-chloroquinolin-2-amine
• Synonyms: 5-bromo-8-chloroquinolin-2-amine

Database IDs

• MDL Number: MFCD19678487
• PubChem SID: 164305084
• PubChem CID: 64208690

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2601855
• LogD (pH = 7.4): 3.2691143
• Log P: 3.2692294
• Molar Refractivity: 57.4208 cm^3
• Polarizability: 22.722998 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): 3.403

Product Information

• Purity: 95%