4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine

C12H17ClN2O — CID 63588228

IUPAC4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine
SMILESCC1CN(c2cccc(Cl)n2)CC(C)(C)O1
InChIInChI=1S/C12H17ClN2O/c1-9-7-15(8-12(2,3)16-9)11-6-4-5-10(13)14-11/h4-6,9H,7-8H2,1-3H3
InChIKeyPUGBNGRAZSLJMQ-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.74
Rot. Bonds1

About 4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine

4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine (PubChem CID 63588228) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine
PubChem CID63588228
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine
SMILESCC1CN(c2cccc(Cl)n2)CC(C)(C)O1
InChIInChI=1S/C12H17ClN2O/c1-9-7-15(8-12(2,3)16-9)11-6-4-5-10(13)14-11/h4-6,9H,7-8H2,1-3H3
InChIKeyPUGBNGRAZSLJMQ-UHFFFAOYSA-N
XLogP2.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.74
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-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine?
The IUPAC name of 4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine (CID 63588228) is 4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine is CC1CN(c2cccc(Cl)n2)CC(C)(C)O1.
What is the InChIKey of 4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine?
The InChIKey is PUGBNGRAZSLJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9-7-15(8-12(2,3)16-9)11-6-4-5-10(13)14-11/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine?
4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine has a molecular weight of 240.73 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine is sourced from PubChem (CID 63588228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).