About 2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine
2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine (PubChem CID 174646195) has the molecular formula C11H17BrN2O
and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine.
Molecular Properties
| Compound Name | 2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine |
| PubChem CID | 174646195 |
| Molecular Formula | C11H17BrN2O |
| Molecular Weight | 273.17 g/mol |
| Exact Mass | 272.05 |
| IUPAC Name | 2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine |
| SMILES | BrC1=CN(CCC2CNCCO2)CC=C1 |
| InChI | InChI=1S/C11H17BrN2O/c12-10-2-1-5-14(9-10)6-3-11-8-13-4-7-15-11/h1-2,9,11,13H,3-8H2 |
| InChIKey | GDRRLNDDISCLFO-UHFFFAOYSA-N |
| XLogP | 1.47 |
| TPSA | 24.50 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 273.17 |
| LogP ≤ 5 | 1.47 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine?
The IUPAC name of 2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine (CID 174646195) is 2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine.
What is the SMILES notation for 2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine?
The canonical SMILES for 2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine is BrC1=CN(CCC2CNCCO2)CC=C1.
What is the InChIKey of 2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine?
The InChIKey is GDRRLNDDISCLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c12-10-2-1-5-14(9-10)6-3-11-8-13-4-7-15-11/h1-2,9,11,13H,3-8H2.
What are the key properties of 2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine?
2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine has a molecular weight of 273.17 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine is sourced from PubChem (CID 174646195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).