ChemSpider 2D Image | 3-(1H-Pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid | C12H8N2O2S

3-(1H-Pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid

  • Molecular FormulaC12H8N2O2S
  • Average mass244.269 Da
  • Monoisotopic mass244.030655 Da
  • ChemSpider ID25953310

More details:

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

1242874-27-6 [RN]
3-(1H-Pyrrol-1-yl)thieno[2,3-b]pyridin-2-carbonsäure [German] [ACD/IUPAC Name]
3-(1H-Pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-(1H-pyrrol-1-yl)thiéno[2,3-b]pyridine-2-carboxylique [French] [ACD/IUPAC Name]
Thieno[2,3-b]pyridine-2-carboxylic acid, 3-(1H-pyrrol-1-yl)- [ACD/Index Name]
[1242874-27-6] [RN]
3-(1h-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylicacid
3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid
3-Pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxylic acid
BS-3242
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 482.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.7±3.0 kJ/mol
    Flash Point: 245.6±28.7 °C
    Index of Refraction: 1.744
    Molar Refractivity: 66.7±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.48
    ACD/LogD (pH 5.5): 0.62
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.76
    ACD/LogD (pH 7.4): -0.02
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 83 Å2
    Polarizability: 26.5±0.5 10-24cm3
    Surface Tension: 65.0±7.0 dyne/cm
    Molar Volume: 164.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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