ChemSpider 2D Image | 6-([1,2,4]Triazol-4-yl)-nicotinic acid | C8H6N4O2

6-([1,2,4]Triazol-4-yl)-nicotinic acid

  • Molecular FormulaC8H6N4O2
  • Average mass190.159 Da
  • Monoisotopic mass190.049072 Da
  • ChemSpider ID21108530

More details:

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

281232-20-0 [RN]
3-Pyridinecarboxylic acid, 6-(4H-1,2,4-triazol-4-yl)- [ACD/Index Name]
6-([1,2,4]Triazol-4-yl)-nicotinic acid
6-(4H-1,2,4-Triazol-4-yl)nicotinic acid [ACD/IUPAC Name]
6-(4H-1,2,4-Triazol-4-yl)nicotinsäure [German] [ACD/IUPAC Name]
Acide 6-(4H-1,2,4-triazol-4-yl)nicotinique [French] [ACD/IUPAC Name]
6‐([1,2,4]TRIAZOL‐4‐YL)‐NICOTINIC ACID
6-(1,2,4-TRIAZOL-4-YL)-NICOTINIC ACID
6-(1,2,4-triazol-4-yl)pyridine-3-carboxylic acid
6-(1H-1,2,4-Triazol-1-yl)nicotinicacid
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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: 467.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.8±3.0 kJ/mol
    Flash Point: 236.3±31.5 °C
    Index of Refraction: 1.724
    Molar Refractivity: 49.1±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.75
    ACD/LogD (pH 5.5): -2.36
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 81 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 70.1±7.0 dyne/cm
    Molar Volume: 123.8±7.0 cm3

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