4-hydrazinyl-2-methyl-6-(trifluoromethyl)quinoline hydrochloride

• ChemBase ID: 805208
• Molecular Formular: C11H11ClF3N3
• Molecular Mass: 277.6733496
• Monoisotopic Mass: 277.05935971
• SMILES: Cl.c1cc2c(cc1C(F)(F)F)c(cc(n2)C)NN
• Canonical SMILES: NNc1cc(C)nc2c1cc(cc2)C(F)(F)F.Cl
• InChI: InChI=1S/C11H10F3N3.ClH/c1-6-4-10(17-15)8-5-7(11(12,13)14)2-3-9(8)16-6;/h2-5H,15H2,1H3,(H,16,17);1H
• InChIKey: SERNOYSQWXGWKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-2-methyl-6-(trifluoromethyl)quinoline hydrochloride
• IUPAC Traditional name: 4-hydrazinyl-2-methyl-6-(trifluoromethyl)quinoline hydrochloride
• Synonyms: 4-HYDRAZINO-2-METHYL-6-TRIFLUOROMETHYLQUINOLINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0761496
• LogD (pH = 7.4): 2.4333751
• Log P: 2.5317616
• Molar Refractivity: 60.2512 cm^3
• Polarizability: 22.258404 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%