ChemSpider 2D Image | 3-Nitro-2-[(1-phenyl-1H-pyrazol-3-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one | C17H12N6O3

3-Nitro-2-[(1-phenyl-1H-pyrazol-3-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC17H12N6O3
  • Average mass348.316 Da
  • Monoisotopic mass348.097076 Da
  • ChemSpider ID30310970

More details:

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

3-Nitro-2-[(1-phenyl-1H-pyrazol-3-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-Nitro-2-[(1-phenyl-1H-pyrazol-3-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
3-Nitro-2-[(1-phényl-1H-pyrazol-3-yl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-nitro-2-[(1-phenyl-1H-pyrazol-3-yl)amino]- [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: 508.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.4±32.9 °C
Index of Refraction: 1.754
Molar Refractivity: 94.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.94
ACD/KOC (pH 5.5): 75.33
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.94
ACD/KOC (pH 7.4): 75.35
Polar Surface Area: 108 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 71.5±7.0 dyne/cm
Molar Volume: 230.5±7.0 cm3

Click to predict properties on the Chemicalize site


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