ChemSpider 2D Image | 2-(1H-Imidazol-1-yl)-5-[(1-methyl-5-nitro-1H-pyrazol-4-yl)ethynyl]pyrimidine | C13H9N7O2

2-(1H-Imidazol-1-yl)-5-[(1-methyl-5-nitro-1H-pyrazol-4-yl)ethynyl]pyrimidine

  • Molecular FormulaC13H9N7O2
  • Average mass295.256 Da
  • Monoisotopic mass295.081787 Da
  • ChemSpider ID91012564

More details:

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

2-(1H-Imidazol-1-yl)-5-[(1-methyl-5-nitro-1H-pyrazol-4-yl)ethinyl]pyrimidin [German] [ACD/IUPAC Name]
2-(1H-Imidazol-1-yl)-5-[(1-methyl-5-nitro-1H-pyrazol-4-yl)ethynyl]pyrimidine [ACD/IUPAC Name]
2-(1H-Imidazol-1-yl)-5-[(1-méthyl-5-nitro-1H-pyrazol-4-yl)éthynyl]pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 2-(1H-imidazol-1-yl)-5-[2-(1-methyl-5-nitro-1H-pyrazol-4-yl)ethynyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 633.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.6±34.3 °C
Index of Refraction: 1.731
Molar Refractivity: 80.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.82
ACD/KOC (pH 5.5): 53.32
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.85
ACD/KOC (pH 7.4): 53.97
Polar Surface Area: 107 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 67.6±7.0 dyne/cm
Molar Volume: 201.3±7.0 cm3

Click to predict properties on the Chemicalize site


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