ChemSpider 2D Image | 1-[2-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]ethanone | C14H11N3O

1-[2-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]ethanone

  • Molecular FormulaC14H11N3O
  • Average mass237.257 Da
  • Monoisotopic mass237.090210 Da
  • ChemSpider ID24808462

More details:

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

1-[2-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[2-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]ethanone [ACD/IUPAC Name]
1-[2-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)phényl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]- [ACD/Index Name]
Kinome_3201

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

Density: 1.3±0.1 g/cm3
Boiling Point: 483.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 243.5±32.4 °C
Index of Refraction: 1.672
Molar Refractivity: 69.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.33
ACD/KOC (pH 5.5): 266.73
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.66
ACD/KOC (pH 7.4): 271.78
Polar Surface Area: 59 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 185.1±3.0 cm3

Click to predict properties on the Chemicalize site


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