ChemSpider 2D Image | 3,5-Dichloro-2-[2-(4-methyl-4H-1,2,4-triazol-3-yl)-1-pyrrolidinyl]pyridine | C12H13Cl2N5

3,5-Dichloro-2-[2-(4-methyl-4H-1,2,4-triazol-3-yl)-1-pyrrolidinyl]pyridine

  • Molecular FormulaC12H13Cl2N5
  • Average mass298.171 Da
  • Monoisotopic mass297.054810 Da
  • ChemSpider ID35206689

More details:

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

3,5-Dichlor-2-[2-(4-methyl-4H-1,2,4-triazol-3-yl)-1-pyrrolidinyl]pyridin [German] [ACD/IUPAC Name]
3,5-Dichloro-2-[2-(4-methyl-4H-1,2,4-triazol-3-yl)-1-pyrrolidinyl]pyridine [ACD/IUPAC Name]
3,5-Dichloro-2-[2-(4-méthyl-4H-1,2,4-triazol-3-yl)-1-pyrrolidinyl]pyridine [French] [ACD/IUPAC Name]
Pyridine, 3,5-dichloro-2-[2-(4-methyl-4H-1,2,4-triazol-3-yl)-1-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 491.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 250.8±31.5 °C
Index of Refraction: 1.717
Molar Refractivity: 76.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.65
ACD/KOC (pH 5.5): 608.74
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 55.07
ACD/KOC (pH 7.4): 613.41
Polar Surface Area: 47 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 193.8±7.0 cm3

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