4-(6-methoxy-3-nitro-2-pyridinyl)morpholine

C10H13N3O4 — CID 2826417

IUPAC4-(6-methoxy-3-nitro-2-pyridinyl)morpholine
SMILESCOc1ccc([N+](=O)[O-])c(N2CCOCC2)n1
InChIInChI=1S/C10H13N3O4/c1-16-9-3-2-8(13(14)15)10(11-9)12-4-6-17-7-5-12/h2-3H,4-7H2,1H3
InChIKeyOYCROQMNSSQIHF-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.83
Rot. Bonds3

About 4-(6-methoxy-3-nitro-2-pyridinyl)morpholine

4-(6-methoxy-3-nitro-2-pyridinyl)morpholine (PubChem CID 2826417) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-(6-methoxy-3-nitro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(6-methoxy-3-nitro-2-pyridinyl)morpholine
PubChem CID2826417
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-(6-methoxy-3-nitro-2-pyridinyl)morpholine
SMILESCOc1ccc([N+](=O)[O-])c(N2CCOCC2)n1
InChIInChI=1S/C10H13N3O4/c1-16-9-3-2-8(13(14)15)10(11-9)12-4-6-17-7-5-12/h2-3H,4-7H2,1H3
InChIKeyOYCROQMNSSQIHF-UHFFFAOYSA-N
XLogP0.83
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methoxy-3-nitro-2-pyridinyl)morpholine?
The IUPAC name of 4-(6-methoxy-3-nitro-2-pyridinyl)morpholine (CID 2826417) is 4-(6-methoxy-3-nitro-2-pyridinyl)morpholine.
What is the SMILES notation for 4-(6-methoxy-3-nitro-2-pyridinyl)morpholine?
The canonical SMILES for 4-(6-methoxy-3-nitro-2-pyridinyl)morpholine is COc1ccc([N+](=O)[O-])c(N2CCOCC2)n1.
What is the InChIKey of 4-(6-methoxy-3-nitro-2-pyridinyl)morpholine?
The InChIKey is OYCROQMNSSQIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-16-9-3-2-8(13(14)15)10(11-9)12-4-6-17-7-5-12/h2-3H,4-7H2,1H3.
What are the key properties of 4-(6-methoxy-3-nitro-2-pyridinyl)morpholine?
4-(6-methoxy-3-nitro-2-pyridinyl)morpholine has a molecular weight of 239.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-nitro-2-pyridinyl)morpholine is sourced from PubChem (CID 2826417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).