ChemSpider 2D Image | 5-Bromo-1-(5-chloro-2-methyl-4-pyridinyl)-3-phenyl-1H-pyrazole-4-carbonitrile | C16H10BrClN4

5-Bromo-1-(5-chloro-2-methyl-4-pyridinyl)-3-phenyl-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC16H10BrClN4
  • Average mass373.634 Da
  • Monoisotopic mass371.977722 Da
  • ChemSpider ID122613007

More details:

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

1H-Pyrazole-4-carbonitrile, 5-bromo-1-(5-chloro-2-methyl-4-pyridinyl)-3-phenyl- [ACD/Index Name]
5-Brom-1-(5-chlor-2-methyl-4-pyridinyl)-3-phenyl-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Bromo-1-(5-chloro-2-methyl-4-pyridinyl)-3-phenyl-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Bromo-1-(5-chloro-2-méthyl-4-pyridinyl)-3-phényl-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 550.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.4±30.1 °C
Index of Refraction: 1.689
Molar Refractivity: 92.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 984.39
ACD/KOC (pH 5.5): 4831.81
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 984.40
ACD/KOC (pH 7.4): 4831.82
Polar Surface Area: 55 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 242.6±7.0 cm3

Click to predict properties on the Chemicalize site


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