4-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]morpholine

C10H10F3N3O3 — CID 606124

IUPAC4-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESO=[N+]([O-])c1cnc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N3O3/c11-10(12,13)8-5-7(16(17)18)6-14-9(8)15-1-3-19-4-2-15/h5-6H,1-4H2
InChIKeyMETKZYKSUBQDFJ-UHFFFAOYSA-N
MW277.20 g/mol
LogP1.85
Rot. Bonds2

About 4-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]morpholine

4-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]morpholine (PubChem CID 606124) has the molecular formula C10H10F3N3O3 and a molecular weight of 277.20 g/mol. Its IUPAC name is 4-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]morpholine
PubChem CID606124
Molecular FormulaC10H10F3N3O3
Molecular Weight277.20 g/mol
Exact Mass277.07
IUPAC Name4-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESO=[N+]([O-])c1cnc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N3O3/c11-10(12,13)8-5-7(16(17)18)6-14-9(8)15-1-3-19-4-2-15/h5-6H,1-4H2
InChIKeyMETKZYKSUBQDFJ-UHFFFAOYSA-N
XLogP1.85
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]morpholine (CID 606124) is 4-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]morpholine is O=[N+]([O-])c1cnc(N2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]morpholine?
The InChIKey is METKZYKSUBQDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3/c11-10(12,13)8-5-7(16(17)18)6-14-9(8)15-1-3-19-4-2-15/h5-6H,1-4H2.
What are the key properties of 4-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]morpholine?
4-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]morpholine has a molecular weight of 277.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-nitro-3-(trifluoromethyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 606124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).