ChemSpider 2D Image | Methyl 3-amino-5-bromo-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate | C12H11BrN2O2S

Methyl 3-amino-5-bromo-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate

  • Molecular FormulaC12H11BrN2O2S
  • Average mass327.197 Da
  • Monoisotopic mass325.972443 Da
  • ChemSpider ID26052534

More details:

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

1221791-57-6 [RN]
3-Amino-5-bromo-6-cyclopropylthiéno[2,3-b]pyridine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-amino-5-bromo-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-3-amino-5-brom-6-cyclopropylthieno[2,3-b]pyridin-2-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-b]pyridine-2-carboxylic acid, 3-amino-5-bromo-6-cyclopropyl-, methyl ester [ACD/Index Name]
3-Amino-5-bromo-6-cyclopropyl-2-(methoxycarbonyl)thieno[2,3-b]pyridine
95%
Methyl 3-amino-5-bromo-6-cyclopropylthieno-[2,3-b]pyridine-2-carboxylate
methylaminobromocyclopropylthienobpyridinecarboxylate
MFCD14584778 [MDL number]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 443.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 222.3±28.7 °C
Index of Refraction: 1.733
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 382.43
ACD/KOC (pH 5.5): 2446.99
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 387.23
ACD/KOC (pH 7.4): 2477.73
Polar Surface Area: 93 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 72.3±3.0 dyne/cm
Molar Volume: 190.6±3.0 cm3

Click to predict properties on the Chemicalize site


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