ChemSpider 2D Image | 2-[4-Phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]nicotinic acid | C19H13N5O2

2-[4-Phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]nicotinic acid

  • Molecular FormulaC19H13N5O2
  • Average mass343.339 Da
  • Monoisotopic mass343.106934 Da
  • ChemSpider ID24726303

More details:

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

2-[4-Phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]nicotinic acid [ACD/IUPAC Name]
2-[4-Phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]nicotinsäure [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]- [ACD/Index Name]
Acide 2-[4-phényl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]nicotinique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 653.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 349.0±34.3 °C
Index of Refraction: 1.716
Molar Refractivity: 97.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.37
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 248.5±7.0 cm3

Click to predict properties on the Chemicalize site


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