ChemSpider 2D Image | 2-{[4-(1H-Pyrazol-5-yl)phenoxy]methyl}pyridine | C15H13N3O

2-{[4-(1H-Pyrazol-5-yl)phenoxy]methyl}pyridine

  • Molecular FormulaC15H13N3O
  • Average mass251.283 Da
  • Monoisotopic mass251.105865 Da
  • ChemSpider ID21429317

More details:






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

2-{[4-(1H-Pyrazol-5-yl)phenoxy]methyl}pyridin [German] [ACD/IUPAC Name]
2-{[4-(1H-Pyrazol-5-yl)phenoxy]methyl}pyridine [ACD/IUPAC Name]
2-{[4-(1H-Pyrazol-5-yl)phénoxy]méthyl}pyridine [French] [ACD/IUPAC Name]
Pyridine, 2-[[4-(1H-pyrazol-5-yl)phenoxy]methyl]- [ACD/Index Name]
[502654-20-8]
2-((4-(1H-pyrazol-5-yl)phenoxy)methyl)pyridine
2-[4-(2H-PYRAZOL-3-YL)PHENOXYMETHYL]PYRIDINE
502654-20-8 [RN]
'502654-20-8
MFCD11109876 [MDL number]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-13226]
    • Safety:

      20/21/22 Novochemy [NC-13226]
      20/21/36/37/39 Novochemy [NC-13226]
      GHS07; GHS09 Novochemy [NC-13226]
      H304; H332 Novochemy [NC-13226]
      P332+P313; P305+P351+P338 Novochemy [NC-13226]
      R22 Novochemy [NC-13226]
      Warning Novochemy [NC-13226]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 486.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 173.2±16.2 °C
Index of Refraction: 1.630
Molar Refractivity: 72.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 52.86
ACD/KOC (pH 5.5): 589.65
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.78
ACD/KOC (pH 7.4): 611.02
Polar Surface Area: 51 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 204.2±3.0 cm3

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