2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine

C11H17BrN2O — CID 174646195

IUPAC2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine
SMILESBrC1=CN(CCC2CNCCO2)CC=C1
InChIInChI=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
InChIKeyGDRRLNDDISCLFO-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.47
Rot. Bonds3

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 Name2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine
PubChem CID174646195
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name2-[2-(5-bromo-2H-pyridin-1-yl)ethyl]morpholine
SMILESBrC1=CN(CCC2CNCCO2)CC=C1
InChIInChI=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
InChIKeyGDRRLNDDISCLFO-UHFFFAOYSA-N
XLogP1.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).