ChemSpider 2D Image | 5-Chloro-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine-6'-carboxylic acid | C18H13ClN2O4S

5-Chloro-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine-6'-carboxylic acid

  • Molecular FormulaC18H13ClN2O4S
  • Average mass388.825 Da
  • Monoisotopic mass388.028442 Da
  • ChemSpider ID23110118

More details:

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

[2,3'-Bipyridine]-6'-carboxylic acid, 5-chloro-3-[4-(methylsulfonyl)phenyl]- [ACD/Index Name]
5-Chlor-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridin-6'-carbonsäure [German] [ACD/IUPAC Name]
5-Chloro-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine-6'-carboxylic acid [ACD/IUPAC Name]
Acide 5-chloro-3-[4-(méthylsulfonyl)phényl]-2,3'-bipyridine-6'-carboxylique [French] [ACD/IUPAC Name]
349536-39-6 [RN]
5-[5-chloro-3-(4-methylsulfonylphenyl)pyridin-2-yl]pyridine-2-carboxylic acid
5-Chloro-3-(4-(methylsulfonyl)phenyl)-[2,3'-bipyridine]-6'-carboxylic acid
5-Chloro-3-(4-methanesulfonyl-phenyl)-[2,3']bipyridinyl-6'-carboxylic acid
6�?Desmethyl-6�?carboxy Etoricoxib
6’-Desmethyl-6’-carboxy Etoricoxib
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 598.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 315.9±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.95
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 272.7±3.0 cm3

Click to predict properties on the Chemicalize site


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