ChemSpider 2D Image | 4-(1,3-Benzodioxol-5-yl)-7H-pyrrolo[2,3-d]pyrimidine | C13H9N3O2

4-(1,3-Benzodioxol-5-yl)-7H-pyrrolo[2,3-d]pyrimidine

  • Molecular FormulaC13H9N3O2
  • Average mass239.230 Da
  • Monoisotopic mass239.069473 Da
  • ChemSpider ID24808550

More details:

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

4-(1,3-Benzodioxol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-7H-pyrrolo[2,3-d]pyrimidine [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-7H-pyrrolo[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine, 4-(1,3-benzodioxol-5-yl)- [ACD/Index Name]
Kinome_2801

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

Density: 1.5±0.1 g/cm3
Boiling Point: 477.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 170.4±19.0 °C
Index of Refraction: 1.726
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.30
ACD/KOC (pH 5.5): 242.75
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.87
ACD/KOC (pH 7.4): 251.69
Polar Surface Area: 60 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 76.7±3.0 dyne/cm
Molar Volume: 164.8±3.0 cm3

Click to predict properties on the Chemicalize site


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