ChemSpider 2D Image | methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate | C9H8N2O2

methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate

  • Molecular FormulaC9H8N2O2
  • Average mass176.172 Da
  • Monoisotopic mass176.058578 Da
  • ChemSpider ID17207673

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

1H-Pyrrolo[2,3-b]pyridine-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid methyl ester
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, methyl ester [ACD/Index Name]
849067-96-5 [RN]
methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate [ACD/IUPAC Name]
Methyl-1H-pyrrolo[2,3-b]pyridin-5-carboxylat [German] [ACD/IUPAC Name]
[849067-96-5] [RN]
174894-80-5 [RN]
1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID METHYL
1h-pyrrolo[2,3-b]pyridine-5-carboxylic acid methyl ester(wx618158)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD08457785 [DBID]
CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 322.7±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.5±3.0 kJ/mol
    Flash Point: 149.0±22.3 °C
    Index of Refraction: 1.648
    Molar Refractivity: 48.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.41
    ACD/LogD (pH 5.5): 1.82
    ACD/BCF (pH 5.5): 14.26
    ACD/KOC (pH 5.5): 233.01
    ACD/LogD (pH 7.4): 1.82
    ACD/BCF (pH 7.4): 14.28
    ACD/KOC (pH 7.4): 233.49
    Polar Surface Area: 55 Å2
    Polarizability: 19.2±0.5 10-24cm3
    Surface Tension: 59.7±3.0 dyne/cm
    Molar Volume: 133.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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