6-bromo-4-hydrazinylquinoline

• ChemBase ID: 87872
• Molecular Formular: C9H8BrN3
• Molecular Mass: 238.08392
• Monoisotopic Mass: 236.99015927
• SMILES: n1ccc(c2cc(ccc12)Br)NN
• Canonical SMILES: NNc1ccnc2c1cc(Br)cc2
• InChI: InChI=1S/C9H8BrN3/c10-6-1-2-8-7(5-6)9(13-11)3-4-12-8/h1-5H,11H2,(H,12,13)
• InChIKey: QZIBIBHUPQKLPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-hydrazinylquinoline
• IUPAC Traditional name: 6-bromo-4-hydrazinylquinoline
• Synonyms: 6-Bromo-4-hydrazinoquinoline

Database IDs

• MDL Number: MFCD08437559
• PubChem SID: 162074912
• PubChem CID: 17039597

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8506609
• LogD (pH = 7.4): 2.2840128
• Log P: 2.2912958
• Molar Refractivity: 57.3088 cm^3
• Polarizability: 22.191895 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%