ChemSpider 2D Image | (1R,2R,4R)-2-(6-Chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane | C11H13ClN2

(1R,2R,4R)-2-(6-Chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane

  • Molecular FormulaC11H13ClN2
  • Average mass208.687 Da
  • Monoisotopic mass208.076721 Da
  • ChemSpider ID23336134

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R,4R)-2-(6-Chlor-3-pyridinyl)-7-azabicyclo[2.2.1]heptan [German] [ACD/IUPAC Name]
(1R,2R,4R)-2-(6-Chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane [ACD/IUPAC Name]
(1R,2R,4R)-2-(6-Chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane [French] [ACD/IUPAC Name]
7-Azabicyclo[2.2.1]heptane, 2-(6-chloro-3-pyridinyl)-, (1R,2R,4R)- [ACD/Index Name]
(+)-Epibatidine
(±)-exo-(1R,2R,4R)-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
(1R,2R,4R)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL513692/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 336.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.0±3.0 kJ/mol
Flash Point: 157.4±25.1 °C
Index of Refraction: 1.577
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -1.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 25 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 170.6±3.0 cm3

Click to predict properties on the Chemicalize site


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