ChemSpider 2D Image | 3-[1-(2-Nitrophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]propanenitrile | C14H10N6O3

3-[1-(2-Nitrophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]propanenitrile

  • Molecular FormulaC14H10N6O3
  • Average mass310.268 Da
  • Monoisotopic mass310.081451 Da
  • ChemSpider ID22544607

More details:

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

3-[1-(2-Nitrophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]propanenitrile [ACD/IUPAC Name]
3-[1-(2-Nitrophényl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]propanenitrile [French] [ACD/IUPAC Name]
3-[1-(2-Nitrophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]propannitril [German] [ACD/IUPAC Name]
5H-Pyrazolo[3,4-d]pyrimidine-5-propanenitrile, 1,4-dihydro-1-(2-nitrophenyl)-4-oxo- [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: 600.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 317.2±34.3 °C
Index of Refraction: 1.740
Molar Refractivity: 81.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.22
ACD/KOC (pH 5.5): 61.56
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.22
ACD/KOC (pH 7.4): 61.56
Polar Surface Area: 120 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 74.7±7.0 dyne/cm
Molar Volume: 202.9±7.0 cm3

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