8-fluoro-4-hydrazinyl-2-methylquinoline hydrochloride

• ChemBase ID: 805342
• Molecular Formular: C10H11ClFN3
• Molecular Mass: 227.6658432
• Monoisotopic Mass: 227.06255327
• SMILES: Cl.c1c(c2c(cc1)c(cc(n2)C)NN)F
• Canonical SMILES: NNc1cc(C)nc2c1cccc2F.Cl
• InChI: InChI=1S/C10H10FN3.ClH/c1-6-5-9(14-12)7-3-2-4-8(11)10(7)13-6;/h2-5H,12H2,1H3,(H,13,14);1H
• InChIKey: XKHPQCBJQGPOQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoro-4-hydrazinyl-2-methylquinoline hydrochloride
• IUPAC Traditional name: 8-fluoro-4-hydrazinyl-2-methylquinoline hydrochloride
• Synonyms: 8-FLUORO-4-HYDRAZINO-2-METHYLQUINOLINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5275006
• LogD (pH = 7.4): 1.7921499
• Log P: 1.7966152
• Molar Refractivity: 54.4939 cm^3
• Polarizability: 20.913858 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%