ChemSpider 2D Image | 5-[(~2~H_4_)-3-Pyridinyl]-2-pyrrolidinone | C9H6D4N2O

5-[(2H4)-3-Pyridinyl]-2-pyrrolidinone

  • Molecular FormulaC9H6D4N2O
  • Average mass166.213 Da
  • Monoisotopic mass166.104416 Da
  • ChemSpider ID23936912

  • Non-standard isotope - Non-standard isotope

More details:

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

1020719-70-3 [RN]
2-Pyrrolidinone, 5-(3-pyridinyl-d4)- [ACD/Index Name]
5-(3-Pyridinyl-2,4,5,6-d4)-2-pyrrolidinone
5-[(2H4)-3-Pyridinyl]-2-pyrrolidinon [German] [ACD/IUPAC Name]
5-[(2H4)-3-Pyridinyl]-2-pyrrolidinone [ACD/IUPAC Name]
5-[(2H4)-3-Pyridinyl]-2-pyrrolidinone [French] [ACD/IUPAC Name]
(R,S)-Norcotinine-pyridyl-d4
5-(2,4,5,6-tetradeuteriopyridin-3-yl)pyrrolidin-2-one
5-[(2H4)Pyridin-3-yl]pyrrolidin-2-one

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 398.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.9±3.0 kJ/mol
    Flash Point: 194.6±25.9 °C
    Index of Refraction: 1.554
    Molar Refractivity: 44.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -1.00
    ACD/LogD (pH 5.5): -0.42
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 12.96
    ACD/LogD (pH 7.4): -0.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 15.35
    Polar Surface Area: 42 Å2
    Polarizability: 17.6±0.5 10-24cm3
    Surface Tension: 46.1±3.0 dyne/cm
    Molar Volume: 138.7±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement