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Search term: QRWSRVCUSXDCQU-UKTHLTGXSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-1,3-benzenediol | C17H16N2O2

4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-1,3-benzenediol

  • Molecular FormulaC17H16N2O2
  • Average mass280.321 Da
  • Monoisotopic mass280.121185 Da
  • ChemSpider ID25034641
  • Double-bond stereo - Double-bond stereo


More details:






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

1,3-Benzenediol, 4-[(E)-(5,6-dihydro[2,3'-bipyridin]-3(4H)-ylidene)methyl]- [ACD/Index Name]
4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-1,3-benzenediol [ACD/IUPAC Name]
4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidèneméthyl]-1,3-benzènediol [French] [ACD/IUPAC Name]
4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenmethyl]-1,3-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 263.2±30.1 °C
Index of Refraction: 1.641
Molar Refractivity: 81.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 16.81
ACD/KOC (pH 5.5): 176.04
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 63.86
ACD/KOC (pH 7.4): 668.78
Polar Surface Area: 66 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 224.7±7.0 cm3

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