ChemSpider 2D Image | N-(3-Fluoro-5-nitro-2-pyridinyl)-D-valine | C10H12FN3O4

N-(3-Fluoro-5-nitro-2-pyridinyl)-D-valine

  • Molecular FormulaC10H12FN3O4
  • Average mass257.218 Da
  • Monoisotopic mass257.081177 Da
  • ChemSpider ID57938830

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Valine, N-(3-fluoro-5-nitro-2-pyridinyl)- [ACD/Index Name]
N-(3-Fluor-5-nitro-2-pyridinyl)-D-valin [German] [ACD/IUPAC Name]
N-(3-Fluoro-5-nitro-2-pyridinyl)-D-valine [ACD/IUPAC Name]
N-(3-Fluoro-5-nitro-2-pyridinyl)-D-valine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 441.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 220.9±28.7 °C
Index of Refraction: 1.589
Molar Refractivity: 60.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.20
ACD/LogD (pH 7.4): -1.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 179.6±3.0 cm3

Click to predict properties on the Chemicalize site


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