ChemSpider 2D Image | Ethyl 5-bromo-1-(2-pyridinyl)-1H-pyrazole-4-carboxylate | C11H10BrN3O2

Ethyl 5-bromo-1-(2-pyridinyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC11H10BrN3O2
  • Average mass296.120 Da
  • Monoisotopic mass294.995636 Da
  • ChemSpider ID24745968

More details:

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

1269293-79-9 [RN]
1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(2-pyridinyl)-, ethyl ester [ACD/Index Name]
5-Bromo-1-(2-pyridinyl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-bromo-1-(2-pyridinyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
ethyl 5-bromo-1-(pyridin-2-yl)-1H-pyrazole-4-carboxylate
Ethyl-5-brom-1-(2-pyridinyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
[1269293-79-9] [RN]
5-bromo-1-(2-pyridinyl)-1H-Pyrazole-4-carboxylic acid ethyl ester
5-Bromo-1-(2-pyridinyl)1H-pyrazole-4-carboxylic acid ethyl ester
5-Bromo-1-(2-pyridinyl)-1H-pyrazole-4-carboxylic acid, ethyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 398.0±27.0 °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: 194.5±23.7 °C
    Index of Refraction: 1.639
    Molar Refractivity: 67.8±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.20
    ACD/LogD (pH 5.5): 2.52
    ACD/BCF (pH 5.5): 48.18
    ACD/KOC (pH 5.5): 557.42
    ACD/LogD (pH 7.4): 2.52
    ACD/BCF (pH 7.4): 48.18
    ACD/KOC (pH 7.4): 557.42
    Polar Surface Area: 57 Å2
    Polarizability: 26.9±0.5 10-24cm3
    Surface Tension: 51.2±7.0 dyne/cm
    Molar Volume: 188.4±7.0 cm3

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