ChemSpider 2D Image | Methyl 6-(2-bromophenyl)-5-methyl-2-[4-(2-propyn-1-yloxy)-2-butyn-1-yl]-1-(trifluoroacetyl)-1,2,5,6-tetrahydro-2-pyridinecarboxylate | C23H21BrF3NO4

Methyl 6-(2-bromophenyl)-5-methyl-2-[4-(2-propyn-1-yloxy)-2-butyn-1-yl]-1-(trifluoroacetyl)-1,2,5,6-tetrahydro-2-pyridinecarboxylate

  • Molecular FormulaC23H21BrF3NO4
  • Average mass512.316 Da
  • Monoisotopic mass511.060608 Da
  • ChemSpider ID26340776

More details:

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

2-Pyridinecarboxylic acid, 6-(2-bromophenyl)-1,2,5,6-tetrahydro-5-methyl-2-[4-(2-propyn-1-yloxy)-2-butyn-1-yl]-1-(2,2,2-trifluoroacetyl)-, methyl ester [ACD/Index Name]
6-(2-Bromophényl)-5-méthyl-2-[4-(2-propyn-1-yloxy)-2-butyn-1-yl]-1-(2,2,2-trifluoroacétyl)-1,2,5,6-tétrahydro-2-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-(2-bromophenyl)-5-methyl-2-[4-(2-propyn-1-yloxy)-2-butyn-1-yl]-1-(trifluoroacetyl)-1,2,5,6-tetrahydro-2-pyridinecarboxylate [ACD/IUPAC Name]
Methyl-6-(2-bromphenyl)-5-methyl-2-[4-(2-propin-1-yloxy)-2-butin-1-yl]-1-(trifluoracetyl)-1,2,5,6-tetrahydro-2-pyridincarboxylat [German] [ACD/IUPAC 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: 576.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.2±30.1 °C
Index of Refraction: 1.529
Molar Refractivity: 113.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3740.89
ACD/KOC (pH 5.5): 12564.04
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3740.89
ACD/KOC (pH 7.4): 12564.04
Polar Surface Area: 56 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 368.4±3.0 cm3

Click to predict properties on the Chemicalize site


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