4-[3,5,6-trifluoro-4-(4-nitrophenoxy)-2-pyridinyl]morpholine

C15H12F3N3O4 — CID 4691328

IUPAC4-[3,5,6-trifluoro-4-(4-nitrophenoxy)-2-pyridinyl]morpholine
SMILESO=[N+]([O-])c1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)cc1
InChIInChI=1S/C15H12F3N3O4/c16-11-13(25-10-3-1-9(2-4-10)21(22)23)12(17)15(19-14(11)18)20-5-7-24-8-6-20/h1-4H,5-8H2
InChIKeyAXUAJNYPLHUNRA-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.04
Rot. Bonds4

About 4-[3,5,6-trifluoro-4-(4-nitrophenoxy)-2-pyridinyl]morpholine

4-[3,5,6-trifluoro-4-(4-nitrophenoxy)-2-pyridinyl]morpholine (PubChem CID 4691328) has the molecular formula C15H12F3N3O4 and a molecular weight of 355.27 g/mol. Its IUPAC name is 4-[3,5,6-trifluoro-4-(4-nitrophenoxy)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[3,5,6-trifluoro-4-(4-nitrophenoxy)-2-pyridinyl]morpholine
PubChem CID4691328
Molecular FormulaC15H12F3N3O4
Molecular Weight355.27 g/mol
Exact Mass355.08
IUPAC Name4-[3,5,6-trifluoro-4-(4-nitrophenoxy)-2-pyridinyl]morpholine
SMILESO=[N+]([O-])c1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)cc1
InChIInChI=1S/C15H12F3N3O4/c16-11-13(25-10-3-1-9(2-4-10)21(22)23)12(17)15(19-14(11)18)20-5-7-24-8-6-20/h1-4H,5-8H2
InChIKeyAXUAJNYPLHUNRA-UHFFFAOYSA-N
XLogP3.04
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5,6-trifluoro-4-(4-nitrophenoxy)-2-pyridinyl]morpholine?
The IUPAC name of 4-[3,5,6-trifluoro-4-(4-nitrophenoxy)-2-pyridinyl]morpholine (CID 4691328) is 4-[3,5,6-trifluoro-4-(4-nitrophenoxy)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[3,5,6-trifluoro-4-(4-nitrophenoxy)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[3,5,6-trifluoro-4-(4-nitrophenoxy)-2-pyridinyl]morpholine is O=[N+]([O-])c1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)cc1.
What is the InChIKey of 4-[3,5,6-trifluoro-4-(4-nitrophenoxy)-2-pyridinyl]morpholine?
The InChIKey is AXUAJNYPLHUNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O4/c16-11-13(25-10-3-1-9(2-4-10)21(22)23)12(17)15(19-14(11)18)20-5-7-24-8-6-20/h1-4H,5-8H2.
What are the key properties of 4-[3,5,6-trifluoro-4-(4-nitrophenoxy)-2-pyridinyl]morpholine?
4-[3,5,6-trifluoro-4-(4-nitrophenoxy)-2-pyridinyl]morpholine has a molecular weight of 355.27 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5,6-trifluoro-4-(4-nitrophenoxy)-2-pyridinyl]morpholine is sourced from PubChem (CID 4691328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).