6-bromo-8-chloroquinolin-2-amine

• ChemBase ID: 247941
• Molecular Formular: C9H6BrClN2
• Molecular Mass: 257.51434
• Monoisotopic Mass: 255.94028788
• SMILES: c12nc(N)ccc2cc(cc1Cl)Br
• Canonical SMILES: Brc1cc(Cl)c2c(c1)ccc(n2)N
• InChI: InChI=1S/C9H6BrClN2/c10-6-3-5-1-2-8(12)13-9(5)7(11)4-6/h1-4H,(H2,12,13)
• InChIKey: CXNRQQLFIXSMNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-8-chloroquinolin-2-amine
• IUPAC Traditional name: 6-bromo-8-chloroquinolin-2-amine
• Synonyms: 6-bromo-8-chloroquinolin-2-amine

Database IDs

• MDL Number: MFCD19678603
• PubChem SID: 164303851
• PubChem CID: 64209123

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2633526
• LogD (pH = 7.4): 3.2691548
• Log P: 3.2692294
• Molar Refractivity: 57.4208 cm^3
• Polarizability: 22.721027 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.403

Product Information

• Purity: 95%