ChemSpider 2D Image | 6-Chloro-5-(trifluoromethyl)nicotinic acid | C7H3ClF3NO2

6-Chloro-5-(trifluoromethyl)nicotinic acid

  • Molecular FormulaC7H3ClF3NO2
  • Average mass225.552 Da
  • Monoisotopic mass224.980438 Da
  • ChemSpider ID26051926

More details:

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

1110782-41-6 [RN]
3-Pyridinecarboxylic acid, 6-chloro-5-(trifluoromethyl)- [ACD/Index Name]
6-Chlor-5-(trifluormethyl)nicotinsäure [German] [ACD/IUPAC Name]
6-Chloro-5-(trifluoromethyl)nicotinic acid [ACD/IUPAC Name]
Acide 6-chloro-5-(trifluorométhyl)nicotinique [French] [ACD/IUPAC Name]
2-chloro-3-(trifluoromethyl)pyridine-5-carboxylic acid
3-((Phenylsulfonyl)methylene)oxetane
3-(benzenesulfonylmethylene)oxetane; 3-(Benzaminomethylen)phthalimidin; Benzamide, N-[(2,3-dihydro-3-oxo-1H-isoindol-1-ylidene)methyl]-; 3-(phenylsulfonylmethylene)oxetane; 3-((phenylsulfonyl)methylene)oxetane; CTK1I7941; 3-(benzoylamino-methylene)-2,3-dihydro-isoindol-1-one;
5-Carboxy-2-chloro-3-(trifluoromethyl)pyridine
6-Chloro-5-(trifluoromethyl)-3-pyridinecarboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 323.3±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 59.7±3.0 kJ/mol
    Flash Point: 149.3±27.9 °C
    Index of Refraction: 1.497
    Molar Refractivity: 41.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.57
    ACD/LogD (pH 5.5): -0.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.55
    ACD/LogD (pH 7.4): -0.61
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 50 Å2
    Polarizability: 16.3±0.5 10-24cm3
    Surface Tension: 41.3±3.0 dyne/cm
    Molar Volume: 140.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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