2,6-dimethyl-4-(5-nitro-2-pyridinyl)morpholine

C11H15N3O3 — CID 2803164

IUPAC2,6-dimethyl-4-(5-nitro-2-pyridinyl)morpholine
SMILESCC1CN(c2ccc([N+](=O)[O-])cn2)CC(C)O1
InChIInChI=1S/C11H15N3O3/c1-8-6-13(7-9(2)17-8)11-4-3-10(5-12-11)14(15)16/h3-5,8-9H,6-7H2,1-2H3
InChIKeyOEWWQMFPALMWEF-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.60
Rot. Bonds2

About 2,6-dimethyl-4-(5-nitro-2-pyridinyl)morpholine

2,6-dimethyl-4-(5-nitro-2-pyridinyl)morpholine (PubChem CID 2803164) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2,6-dimethyl-4-(5-nitro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(5-nitro-2-pyridinyl)morpholine
PubChem CID2803164
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2,6-dimethyl-4-(5-nitro-2-pyridinyl)morpholine
SMILESCC1CN(c2ccc([N+](=O)[O-])cn2)CC(C)O1
InChIInChI=1S/C11H15N3O3/c1-8-6-13(7-9(2)17-8)11-4-3-10(5-12-11)14(15)16/h3-5,8-9H,6-7H2,1-2H3
InChIKeyOEWWQMFPALMWEF-UHFFFAOYSA-N
XLogP1.60
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.60
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 2,6-dimethyl-4-(5-nitro-2-pyridinyl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(5-nitro-2-pyridinyl)morpholine (CID 2803164) is 2,6-dimethyl-4-(5-nitro-2-pyridinyl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(5-nitro-2-pyridinyl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(5-nitro-2-pyridinyl)morpholine is CC1CN(c2ccc([N+](=O)[O-])cn2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(5-nitro-2-pyridinyl)morpholine?
The InChIKey is OEWWQMFPALMWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-6-13(7-9(2)17-8)11-4-3-10(5-12-11)14(15)16/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(5-nitro-2-pyridinyl)morpholine?
2,6-dimethyl-4-(5-nitro-2-pyridinyl)morpholine has a molecular weight of 237.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(5-nitro-2-pyridinyl)morpholine is sourced from PubChem (CID 2803164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).