ChemSpider 2D Image | 2-(1H-Pyrazol-3-yl)isonicotinic acid | C9H7N3O2

2-(1H-Pyrazol-3-yl)isonicotinic acid

  • Molecular FormulaC9H7N3O2
  • Average mass189.171 Da
  • Monoisotopic mass189.053833 Da
  • ChemSpider ID26527955

More details:

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

2-(1H-Pyrazol-3-yl)-4-pyridinecarboxylic acid
2-(1H-Pyrazol-3-yl)isonicotinic acid [ACD/IUPAC Name]
2-(1H-Pyrazol-3-yl)isonicotinsäure [German] [ACD/IUPAC Name]
2-(1H-Pyrazol-3-yl)pyridine-4-carboxylic acid
4-Pyridinecarboxylic acid, 2-(1H-pyrazol-3-yl)- [ACD/Index Name]
956723-02-7 [RN]
Acide 2-(1H-pyrazol-3-yl)isonicotinique [French] [ACD/IUPAC Name]
0WS
MFCD20646236

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 625.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 97.3±3.0 kJ/mol
    Flash Point: 332.0±28.7 °C
    Index of Refraction: 1.654
    Molar Refractivity: 48.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.88
    ACD/LogD (pH 5.5): -0.81
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.73
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 79 Å2
    Polarizability: 19.2±0.5 10-24cm3
    Surface Tension: 76.7±3.0 dyne/cm
    Molar Volume: 132.0±3.0 cm3

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