ChemSpider 2D Image | 1-{2-[(2-Chloro-4-fluorobenzyl)amino]-2-oxoethyl}-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid | C15H12ClFN2O4

1-{2-[(2-Chloro-4-fluorobenzyl)amino]-2-oxoethyl}-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid

  • Molecular FormulaC15H12ClFN2O4
  • Average mass338.718 Da
  • Monoisotopic mass338.046967 Da
  • ChemSpider ID28601676

More details:

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

1-{2-[(2-Chlor-4-fluorbenzyl)amino]-2-oxoethyl}-6-oxo-1,6-dihydro-3-pyridincarbonsäure [German] [ACD/IUPAC Name]
1-{2-[(2-Chloro-4-fluorobenzyl)amino]-2-oxoethyl}-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 1-[2-[[(2-chloro-4-fluorophenyl)methyl]amino]-2-oxoethyl]-1,6-dihydro-6-oxo- [ACD/Index Name]
Acide 1-{2-[(2-chloro-4-fluorobenzyl)amino]-2-oxoéthyl}-6-oxo-1,6-dihydro-3-pyridinecarboxylique [French] [ACD/IUPAC Name]
1-({[(2-CHLORO-4-FLUOROPHENYL)METHYL]CARBAMOYL}METHYL)-6-OXOPYRIDINE-3-CARBOXYLIC ACID
1-(2-((2-chloro-4-fluorobenzyl)amino)-2-oxoethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
1-[(2-Chloro-4-fluoro-benzylcarbamoyl)-methyl]-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid
1-{2-[(2-chloro-4-fluorobenzyl)amino]-2-oxoethyl}-6-oxo-1,6-dihydropyridine-3-carboxylic acid
1432436-70-8 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 619.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.5±3.0 kJ/mol
    Flash Point: 328.3±31.5 °C
    Index of Refraction: 1.611
    Molar Refractivity: 79.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.69
    ACD/LogD (pH 5.5): -1.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 87 Å2
    Polarizability: 31.3±0.5 10-24cm3
    Surface Tension: 61.5±3.0 dyne/cm
    Molar Volume: 227.7±3.0 cm3

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