ChemSpider 2D Image | 3-(5-{[1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]methyl}-4H-1,2,4-triazol-3-yl)pyridine | C19H19F2N5

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

  • Molecular FormulaC19H19F2N5
  • Average mass355.384 Da
  • Monoisotopic mass355.160858 Da
  • ChemSpider ID53596163

More details:

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

3-(5-{[1-(3,4-Difluorbenzyl)-3-pyrrolidinyl]methyl}-4H-1,2,4-triazol-3-yl)pyridin [German] [ACD/IUPAC Name]
3-(5-{[1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]methyl}-4H-1,2,4-triazol-3-yl)pyridine [ACD/IUPAC Name]
3-(5-{[1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]méthyl}-4H-1,2,4-triazol-3-yl)pyridine [French] [ACD/IUPAC Name]
Pyridine, 3-[5-[[1-[(3,4-difluorophenyl)methyl]-3-pyrrolidinyl]methyl]-4H-1,2,4-triazol-3-yl]- [ACD/Index Name]
3-(5-{[1-(3,4-DIFLUOROBENZYL)TETRAHYDRO-1H-PYRROL-3-YL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
3-[5-[[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-3-yl]pyridine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 539.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.3±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): -0.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.13
ACD/KOC (pH 7.4): 19.19
Polar Surface Area: 58 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 268.1±3.0 cm3

Click to predict properties on the Chemicalize site


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