ChemSpider 2D Image | tert-Butyl 4-(5-nitro-1H-indol-3-yl)-5,6-dihydropyridine-1(2H)-carboxylate | C18H21N3O4

tert-Butyl 4-(5-nitro-1H-indol-3-yl)-5,6-dihydropyridine-1(2H)-carboxylate

  • Molecular FormulaC18H21N3O4
  • Average mass343.377 Da
  • Monoisotopic mass343.153198 Da
  • ChemSpider ID32689471

More details:

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

1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(5-nitro-1H-indol-3-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
151273-41-5 [RN]
2-Methyl-2-propanyl 4-(5-nitro-1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(5-nitro-1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridincarboxylat [German] [ACD/IUPAC Name]
4-(5-Nitro-1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
4-(5-Nitro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
MFCD26940339 [MDL number]
tert-Butyl 4-(5-nitro-1H-indol-3-yl)-5,6-dihydropyridine-1(2H)-carboxylate
1-Boc-4-(5-nitro-3-indolyl)-1,2,3,6-tetrahydropyridine
tert-butyl 4-(5-nitro-1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carboxylate

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 531.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.2±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 94.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 409.43
ACD/KOC (pH 5.5): 2578.70
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 409.43
ACD/KOC (pH 7.4): 2578.70
Polar Surface Area: 91 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 264.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement