ChemSpider 2D Image | 5-(Thiazol-5-yl)nicotinic acid | C9H6N2O2S

5-(Thiazol-5-yl)nicotinic acid

  • Molecular FormulaC9H6N2O2S
  • Average mass206.221 Da
  • Monoisotopic mass206.014999 Da
  • ChemSpider ID26529302

More details:

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

1346687-52-2 [RN]
3-Pyridinecarboxylic acid, 5-(5-thiazolyl)- [ACD/Index Name]
5-(1,3-Thiazol-5-yl)nicotinic acid [ACD/IUPAC Name]
5-(1,3-Thiazol-5-yl)nicotinsäure [German] [ACD/IUPAC Name]
5-(Thiazol-5-yl)nicotinic acid
Acide 5-(1,3-thiazol-5-yl)nicotinique [French] [ACD/IUPAC Name]
5-(1,3-Thiazol-5-yl)pyridine-3-carboxylic acid
5-(Thiazol-5-yl)nicotinicacid
5-(thiazol-5-yl)pyridine-3-carboxylic acid
MFCD19689049 [MDL number]

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 475.6±35.0 °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: 241.5±25.9 °C
Index of Refraction: 1.652
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 143.2±3.0 cm3

Click to predict properties on the Chemicalize site


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