ChemSpider 2D Image | 1-(tert-Butoxycarbonyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid | C14H16N2O4

1-(tert-Butoxycarbonyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

  • Molecular FormulaC14H16N2O4
  • Average mass276.288 Da
  • Monoisotopic mass276.110992 Da
  • ChemSpider ID25996275

More details:

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

1-(tert-Butoxycarbonyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
1-[(tert-butoxy)carbonyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
1198097-92-5 [RN]
1H-Pyrrolo[2,3-b]pyridine-1,3-dicarboxylic acid, 5-methyl-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
5-Methyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-pyrrolo[2,3-b]pyridin-3-carbonsäure [German] [ACD/IUPAC Name]
5-Methyl-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-méthyl-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1H-pyrrolo[2,3-b]pyridine-3-carboxylique [French] [ACD/IUPAC Name]
MFCD13176651 [MDL number]
[1198097-92-5] [RN]
1-(tert-Butoxycarbonyl)-5-methyl-1H-pyrrolo-[2,3-b]pyridine-3-carboxylic acid
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 456.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.5±3.0 kJ/mol
    Flash Point: 230.0±31.5 °C
    Index of Refraction: 1.586
    Molar Refractivity: 72.7±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.63
    ACD/LogD (pH 5.5): -0.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.22
    ACD/LogD (pH 7.4): -0.58
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 81 Å2
    Polarizability: 28.8±0.5 10-24cm3
    Surface Tension: 44.6±7.0 dyne/cm
    Molar Volume: 216.7±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement