ChemSpider 2D Image | 4-[4,6-Dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]benzonitrile | C20H15N3S

4-[4,6-Dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]benzonitrile

  • Molecular FormulaC20H15N3S
  • Average mass329.418 Da
  • Monoisotopic mass329.098663 Da
  • ChemSpider ID21664376

More details:

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

4-[4,6-Dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]benzonitril [German] [ACD/IUPAC Name]
4-[4,6-Dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]benzonitrile [ACD/IUPAC Name]
4-[4,6-Diméthyl-3-(1H-pyrrol-1-yl)thiéno[2,3-b]pyridin-2-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]- [ACD/Index Name]
4-(4,6-Dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)-benzonitrile
4-(4,6-dimethyl-3-pyrrolylthiopheno[2,3-b]pyridin-2-yl)benzenecarbonitrile

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

Density: 1.2±0.1 g/cm3
Boiling Point: 553.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 288.6±30.1 °C
Index of Refraction: 1.685
Molar Refractivity: 100.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2832.41
ACD/KOC (pH 5.5): 10179.65
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2946.00
ACD/KOC (pH 7.4): 10587.88
Polar Surface Area: 70 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 265.5±7.0 cm3

Click to predict properties on the Chemicalize site


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