4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine

C12H17BrN2O — CID 63963227

IUPAC4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1cccc(Br)n1
InChIInChI=1S/C12H17BrN2O/c1-3-10-8-16-9(2)7-15(10)12-6-4-5-11(13)14-12/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyIAFLPOBOICQMLZ-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.85
Rot. Bonds2

About 4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine

4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine (PubChem CID 63963227) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine
PubChem CID63963227
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1c1cccc(Br)n1
InChIInChI=1S/C12H17BrN2O/c1-3-10-8-16-9(2)7-15(10)12-6-4-5-11(13)14-12/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyIAFLPOBOICQMLZ-UHFFFAOYSA-N
XLogP2.85
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.85
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-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine?
The IUPAC name of 4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine (CID 63963227) is 4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine.
What is the SMILES notation for 4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine?
The canonical SMILES for 4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine is CCC1COC(C)CN1c1cccc(Br)n1.
What is the InChIKey of 4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine?
The InChIKey is IAFLPOBOICQMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-10-8-16-9(2)7-15(10)12-6-4-5-11(13)14-12/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of 4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine?
4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine has a molecular weight of 285.19 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-2-pyridinyl)-5-ethyl-2-methylmorpholine is sourced from PubChem (CID 63963227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).