ChemSpider 2D Image | 2-amino-5-nitronicotinic acid methyl ester | C7H7N3O4

2-amino-5-nitronicotinic acid methyl ester

  • Molecular FormulaC7H7N3O4
  • Average mass197.148 Da
  • Monoisotopic mass197.043655 Da
  • ChemSpider ID26559571

More details:

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

2-amino-5-nitronicotinic acid methyl ester
88312-64-5 [RN]
Methyl 2-amino-5-nitro-3-pyridinecarboxylate
methyl 2-amino-5-nitropyridine-3-carboxylate
[88312-64-5] [RN]
2-Amino-5-nitronicotinate de méthyle [French] [ACD/IUPAC Name]
2-amino-5-nitro-nicotinic acid methyl ester
3-Pyridinecarboxylic acid, 2-amino-5-nitro-, methyl ester [ACD/Index Name]
DS-14607
Methyl 2-amino-5-nitronicotinate [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 372.3±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.9±3.0 kJ/mol
    Flash Point: 179.0±26.5 °C
    Index of Refraction: 1.613
    Molar Refractivity: 46.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.35
    ACD/LogD (pH 5.5): 1.90
    ACD/BCF (pH 5.5): 16.46
    ACD/KOC (pH 5.5): 258.42
    ACD/LogD (pH 7.4): 1.90
    ACD/BCF (pH 7.4): 16.46
    ACD/KOC (pH 7.4): 258.43
    Polar Surface Area: 111 Å2
    Polarizability: 18.6±0.5 10-24cm3
    Surface Tension: 68.6±3.0 dyne/cm
    Molar Volume: 134.7±3.0 cm3

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