ChemSpider 2D Image | Methyl 2-chloro-6-(4-methyl-1-piperazinyl)isonicotinate | C12H16ClN3O2

Methyl 2-chloro-6-(4-methyl-1-piperazinyl)isonicotinate

  • Molecular FormulaC12H16ClN3O2
  • Average mass269.727 Da
  • Monoisotopic mass269.093109 Da
  • ChemSpider ID26231812

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1227954-55-3 [RN]
2-Chloro-6-(4-méthyl-1-pipérazinyl)isonicotinate de méthyle [French] [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 2-chloro-6-(4-methyl-1-piperazinyl)-, methyl ester [ACD/Index Name]
Methyl 2-chloro-6-(4-methyl-1-piperazinyl)isonicotinate [ACD/IUPAC Name]
methyl 2-chloro-6-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
Methyl-2-chlor-6-(4-methyl-1-piperazinyl)isonicotinat [German] [ACD/IUPAC Name]
[1227954-55-3] [RN]
methyl 2-chloro-6-(4-methylpiperazin-1-yl)isonicotinate
methyl2-chloro-6-(4-methylpiperazin-1-yl)isonicotinate
MFCD12756247 [MDL number]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 416.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.9±3.0 kJ/mol
    Flash Point: 205.4±28.7 °C
    Index of Refraction: 1.557
    Molar Refractivity: 69.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.22
    ACD/LogD (pH 5.5): 0.91
    ACD/BCF (pH 5.5): 1.52
    ACD/KOC (pH 5.5): 21.68
    ACD/LogD (pH 7.4): 2.02
    ACD/BCF (pH 7.4): 19.50
    ACD/KOC (pH 7.4): 278.39
    Polar Surface Area: 46 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 46.5±3.0 dyne/cm
    Molar Volume: 215.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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