4-[2-(6-chloro-3-pyridinyl)ethyl]morpholine

C11H15ClN2O — CID 90370236

IUPAC4-[2-(6-chloro-3-pyridinyl)ethyl]morpholine
SMILESClc1ccc(CCN2CCOCC2)cn1
InChIInChI=1S/C11H15ClN2O/c12-11-2-1-10(9-13-11)3-4-14-5-7-15-8-6-14/h1-2,9H,3-8H2
InChIKeyYRXOKZWINNXPCP-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.61
Rot. Bonds3

About 4-[2-(6-chloro-3-pyridinyl)ethyl]morpholine

4-[2-(6-chloro-3-pyridinyl)ethyl]morpholine (PubChem CID 90370236) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-[2-(6-chloro-3-pyridinyl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(6-chloro-3-pyridinyl)ethyl]morpholine
PubChem CID90370236
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-[2-(6-chloro-3-pyridinyl)ethyl]morpholine
SMILESClc1ccc(CCN2CCOCC2)cn1
InChIInChI=1S/C11H15ClN2O/c12-11-2-1-10(9-13-11)3-4-14-5-7-15-8-6-14/h1-2,9H,3-8H2
InChIKeyYRXOKZWINNXPCP-UHFFFAOYSA-N
XLogP1.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-chloro-3-pyridinyl)ethyl]morpholine?
The IUPAC name of 4-[2-(6-chloro-3-pyridinyl)ethyl]morpholine (CID 90370236) is 4-[2-(6-chloro-3-pyridinyl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(6-chloro-3-pyridinyl)ethyl]morpholine?
The canonical SMILES for 4-[2-(6-chloro-3-pyridinyl)ethyl]morpholine is Clc1ccc(CCN2CCOCC2)cn1.
What is the InChIKey of 4-[2-(6-chloro-3-pyridinyl)ethyl]morpholine?
The InChIKey is YRXOKZWINNXPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-11-2-1-10(9-13-11)3-4-14-5-7-15-8-6-14/h1-2,9H,3-8H2.
What are the key properties of 4-[2-(6-chloro-3-pyridinyl)ethyl]morpholine?
4-[2-(6-chloro-3-pyridinyl)ethyl]morpholine has a molecular weight of 226.71 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-chloro-3-pyridinyl)ethyl]morpholine is sourced from PubChem (CID 90370236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).