ChemSpider 2D Image | {5-Chloro-2-[(3-hydroxy-1-methyl-2-oxo-3-pyrrolidinyl)ethynyl]-4-pyridinyl}boronic acid | C12H12BClN2O4

{5-Chloro-2-[(3-hydroxy-1-methyl-2-oxo-3-pyrrolidinyl)ethynyl]-4-pyridinyl}boronic acid

  • Molecular FormulaC12H12BClN2O4
  • Average mass294.499 Da
  • Monoisotopic mass294.057861 Da
  • ChemSpider ID96089323

More details:

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

{5-Chlor-2-[(3-hydroxy-1-methyl-2-oxo-3-pyrrolidinyl)ethinyl]-4-pyridinyl}borsäure [German] [ACD/IUPAC Name]
{5-Chloro-2-[(3-hydroxy-1-methyl-2-oxo-3-pyrrolidinyl)ethynyl]-4-pyridinyl}boronic acid [ACD/IUPAC Name]
Acide {5-chloro-2-[(3-hydroxy-1-méthyl-2-oxo-3-pyrrolidinyl)éthynyl]-4-pyridinyl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[5-chloro-2-[2-(3-hydroxy-1-methyl-2-oxo-3-pyrrolidinyl)ethynyl]-4-pyridinyl]- [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: 604.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.3±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 69.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 52.50
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.95
Polar Surface Area: 94 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 191.4±5.0 cm3

Click to predict properties on the Chemicalize site


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