ChemSpider 2D Image | (2R)-2-Cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide | C18H14N4O2

(2R)-2-Cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide

  • Molecular FormulaC18H14N4O2
  • Average mass318.329 Da
  • Monoisotopic mass318.111664 Da
  • ChemSpider ID35033671

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Cyan-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamid [German] [ACD/IUPAC Name]
(2R)-2-Cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide [ACD/IUPAC Name]
(2R)-2-Cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phényl]propanamide [French] [ACD/IUPAC Name]
Benzenepropanamide, α-cyano-3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)-, (αR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 685.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.5±31.5 °C
Index of Refraction: 1.684
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 113 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 72.0±3.0 dyne/cm
Molar Volume: 233.6±3.0 cm3

Click to predict properties on the Chemicalize site


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