ChemSpider 2D Image | 5-Chloro-1-(4-pyridinyl)-1H-pyrazole-4-carbonitrile | C9H5ClN4

5-Chloro-1-(4-pyridinyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC9H5ClN4
  • Average mass204.616 Da
  • Monoisotopic mass204.020279 Da
  • ChemSpider ID24746045

More details:

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

1269292-00-3 [RN]
1H-Pyrazole-4-carbonitrile, 5-chloro-1-(4-pyridinyl)- [ACD/Index Name]
5-Chlor-1-(4-pyridinyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Chloro-1-(4-pyridinyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Chloro-1-(4-pyridinyl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-chloro-1-(pyridin-4-yl)-1H-pyrazole-4-carbonitrile
5-CHLORO-1-(PYRIDIN-4-YL)PYRAZOLE-4-CARBONITRILE
MFCD17168527

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

CCRIS 4693 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 404.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.6±25.9 °C
Index of Refraction: 1.681
Molar Refractivity: 55.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.13
ACD/KOC (pH 5.5): 141.94
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.13
ACD/KOC (pH 7.4): 141.96
Polar Surface Area: 55 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 146.7±7.0 cm3

Click to predict properties on the Chemicalize site


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