7-bromo-4-hydrazinyl-2-methylquinoline

• ChemBase ID: 813067
• Molecular Formular: C10H10BrN3
• Molecular Mass: 252.1105
• Monoisotopic Mass: 251.00580934
• SMILES: c1(cc2c(cc1)c(cc(n2)C)NN)Br
• Canonical SMILES: NNc1cc(C)nc2c1ccc(c2)Br
• InChI: InChI=1S/C10H10BrN3/c1-6-4-10(14-12)8-3-2-7(11)5-9(8)13-6/h2-5H,12H2,1H3,(H,13,14)
• InChIKey: HTQHPVFMYBFBJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-4-hydrazinyl-2-methylquinoline
• IUPAC Traditional name: 7-bromo-4-hydrazinyl-2-methylquinoline
• Synonyms: 7-BROMO-4-HYDRAZINO-2-METHYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4828305
• LogD (pH = 7.4): 2.3967824
• Log P: 2.4226658
• Molar Refractivity: 61.9003 cm^3
• Polarizability: 23.947462 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%