ChemSpider 2D Image | 3-(5-Nitro-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-propynoic acid | C9H4N4O4

3-(5-Nitro-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-propynoic acid

  • Molecular FormulaC9H4N4O4
  • Average mass232.152 Da
  • Monoisotopic mass232.023254 Da
  • ChemSpider ID89971549

More details:

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

2-Propynoic acid, 3-(5-nitro-1H-pyrazolo[3,4-b]pyridin-3-yl)- [ACD/Index Name]
3-(5-Nitro-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-propinsäure [German] [ACD/IUPAC Name]
3-(5-Nitro-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-propynoic acid [ACD/IUPAC Name]
Acide 3-(5-nitro-1H-pyrazolo[3,4-b]pyridin-3-yl)-2-propynoïque [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 579.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 304.0±30.1 °C
Index of Refraction: 1.771
Molar Refractivity: 53.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -3.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 135.0±5.0 dyne/cm
Molar Volume: 128.4±5.0 cm3

Click to predict properties on the Chemicalize site


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