ChemSpider 2D Image | 4-Bromo-5-methyl-N-[1-(3-nitro-2-pyridinyl)-4-piperidinyl]-1H-pyrrole-2-carboxamide | C16H18BrN5O3

4-Bromo-5-methyl-N-[1-(3-nitro-2-pyridinyl)-4-piperidinyl]-1H-pyrrole-2-carboxamide

  • Molecular FormulaC16H18BrN5O3
  • Average mass408.250 Da
  • Monoisotopic mass407.059296 Da
  • ChemSpider ID26325234

More details:

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

1H-Pyrrole-2-carboxamide, 4-bromo-5-methyl-N-[1-(3-nitro-2-pyridinyl)-4-piperidinyl]- [ACD/Index Name]
4-Brom-5-methyl-N-[1-(3-nitro-2-pyridinyl)-4-piperidinyl]-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4-Bromo-5-methyl-N-[1-(3-nitro-2-pyridinyl)-4-piperidinyl]-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-Bromo-5-méthyl-N-[1-(3-nitro-2-pyridinyl)-4-pipéridinyl]-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
848501-11-1 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 599.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.4±30.1 °C
Index of Refraction: 1.670
Molar Refractivity: 94.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 124.75
ACD/KOC (pH 5.5): 1067.88
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.90
ACD/KOC (pH 7.4): 1189.02
Polar Surface Area: 107 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 75.8±5.0 dyne/cm
Molar Volume: 254.0±5.0 cm3

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