ChemSpider 2D Image | 5-(2,6-Dichloro-4-pyrimidinyl)-2-piperidinone | C9H9Cl2N3O

5-(2,6-Dichloro-4-pyrimidinyl)-2-piperidinone

  • Molecular FormulaC9H9Cl2N3O
  • Average mass246.093 Da
  • Monoisotopic mass245.012268 Da
  • ChemSpider ID28638660

More details:

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

1439818-91-3 [RN]
2-Piperidinone, 5-(2,6-dichloro-4-pyrimidinyl)- [ACD/Index Name]
5-(2,6-Dichlor-4-pyrimidinyl)-2-piperidinon [German] [ACD/IUPAC Name]
5-(2,6-Dichloro-4-pyrimidinyl)-2-piperidinone [ACD/IUPAC Name]
5-(2,6-Dichloro-4-pyrimidinyl)-2-pipéridinone [French] [ACD/IUPAC Name]
5-(2,6-dichloropyrimidin-4-yl)piperidin-2-one
MFCD22690837 [MDL number]
N-(Oxetan-3-yl)piperidin-4-amine oxalate

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: 1.4±0.1 g/cm3
    Boiling Point: 474.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.8±3.0 kJ/mol
    Flash Point: 240.9±28.7 °C
    Index of Refraction: 1.570
    Molar Refractivity: 57.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.35
    ACD/LogD (pH 5.5): 0.46
    ACD/BCF (pH 5.5): 1.31
    ACD/KOC (pH 5.5): 42.13
    ACD/LogD (pH 7.4): 0.46
    ACD/BCF (pH 7.4): 1.31
    ACD/KOC (pH 7.4): 42.13
    Polar Surface Area: 55 Å2
    Polarizability: 22.6±0.5 10-24cm3
    Surface Tension: 54.4±3.0 dyne/cm
    Molar Volume: 173.5±3.0 cm3

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