ChemSpider 2D Image | 5-Ethynyl-2-pyrimidinecarbonitrile | C7H3N3

5-Ethynyl-2-pyrimidinecarbonitrile

  • Molecular FormulaC7H3N3
  • Average mass129.119 Da
  • Monoisotopic mass129.032700 Da
  • ChemSpider ID58226893

More details:

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

2-Pyrimidinecarbonitrile, 5-ethynyl- [ACD/Index Name]
5-Ethinyl-2-pyrimidincarbonitril [German] [ACD/IUPAC Name]
5-Ethynyl-2-pyrimidinecarbonitrile [ACD/IUPAC Name]
5-Éthynyl-2-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
2098085-06-2 [RN]
5-ethynylpyrimidine-2-carbonitrile
MFCD30484443

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 297.4±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.7±3.0 kJ/mol
    Flash Point: 109.1±10.3 °C
    Index of Refraction: 1.571
    Molar Refractivity: 34.0±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.13
    ACD/LogD (pH 5.5): 0.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 25.63
    ACD/LogD (pH 7.4): 0.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 25.63
    Polar Surface Area: 50 Å2
    Polarizability: 13.5±0.5 10-24cm3
    Surface Tension: 72.8±5.0 dyne/cm
    Molar Volume: 103.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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