4-(6-nitro-3-pyridinyl)morpholine

C9H11N3O3 — CID 2927973

IUPAC4-(6-nitro-3-pyridinyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)cn1
InChIInChI=1S/C9H11N3O3/c13-12(14)9-2-1-8(7-10-9)11-3-5-15-6-4-11/h1-2,7H,3-6H2
InChIKeyJAJUAAWSTSRHAD-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.83
Rot. Bonds2

About 4-(6-nitro-3-pyridinyl)morpholine

4-(6-nitro-3-pyridinyl)morpholine (PubChem CID 2927973) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-(6-nitro-3-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(6-nitro-3-pyridinyl)morpholine
PubChem CID2927973
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name4-(6-nitro-3-pyridinyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)cn1
InChIInChI=1S/C9H11N3O3/c13-12(14)9-2-1-8(7-10-9)11-3-5-15-6-4-11/h1-2,7H,3-6H2
InChIKeyJAJUAAWSTSRHAD-UHFFFAOYSA-N
XLogP0.83
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.83
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-(6-nitro-3-pyridinyl)morpholine?
The IUPAC name of 4-(6-nitro-3-pyridinyl)morpholine (CID 2927973) is 4-(6-nitro-3-pyridinyl)morpholine.
What is the SMILES notation for 4-(6-nitro-3-pyridinyl)morpholine?
The canonical SMILES for 4-(6-nitro-3-pyridinyl)morpholine is O=[N+]([O-])c1ccc(N2CCOCC2)cn1.
What is the InChIKey of 4-(6-nitro-3-pyridinyl)morpholine?
The InChIKey is JAJUAAWSTSRHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c13-12(14)9-2-1-8(7-10-9)11-3-5-15-6-4-11/h1-2,7H,3-6H2.
What are the key properties of 4-(6-nitro-3-pyridinyl)morpholine?
4-(6-nitro-3-pyridinyl)morpholine has a molecular weight of 209.20 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-nitro-3-pyridinyl)morpholine is sourced from PubChem (CID 2927973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).