ChemSpider 2D Image | Methyl 4-(6-amino-5-nitro-3-pyridinyl)benzoate | C13H11N3O4

Methyl 4-(6-amino-5-nitro-3-pyridinyl)benzoate

  • Molecular FormulaC13H11N3O4
  • Average mass273.244 Da
  • Monoisotopic mass273.074951 Da
  • ChemSpider ID25076855

More details:

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

1206523-75-2 [RN]
4-(6-Amino-5-nitro-3-pyridinyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(6-amino-5-nitro-3-pyridinyl)-, methyl ester [ACD/Index Name]
Methyl 4-(6-amino-5-nitro-3-pyridinyl)benzoate [ACD/IUPAC Name]
methyl 4-(6-amino-5-nitropyridin-3-yl)benzoate
Methyl-4-(6-amino-5-nitro-3-pyridinyl)benzoat [German] [ACD/IUPAC Name]
MD-0208
Methyl 4-(6-amino-5-nitro-3-pyridinyl)benzenecarboxylate
Methyl 4-(6-amino-5-nitro-3-pyridinyl)-benzenecarboxylate
methylaminonitropyridinylbenzenecarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 452.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.2±3.0 kJ/mol
    Flash Point: 227.7±28.7 °C
    Index of Refraction: 1.634
    Molar Refractivity: 71.5±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.30
    ACD/LogD (pH 5.5): 2.81
    ACD/BCF (pH 5.5): 79.76
    ACD/KOC (pH 5.5): 799.68
    ACD/LogD (pH 7.4): 2.81
    ACD/BCF (pH 7.4): 79.77
    ACD/KOC (pH 7.4): 799.74
    Polar Surface Area: 111 Å2
    Polarizability: 28.3±0.5 10-24cm3
    Surface Tension: 61.9±3.0 dyne/cm
    Molar Volume: 200.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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