4-(3,5-dinitro-2-pyridinyl)morpholine

C9H10N4O5 — CID 2847997

IUPAC4-(3,5-dinitro-2-pyridinyl)morpholine
SMILESO=[N+]([O-])c1cnc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N4O5/c14-12(15)7-5-8(13(16)17)9(10-6-7)11-1-3-18-4-2-11/h5-6H,1-4H2
InChIKeyOLMXISBUEJLUJL-UHFFFAOYSA-N
MW254.20 g/mol
LogP0.73
Rot. Bonds3

About 4-(3,5-dinitro-2-pyridinyl)morpholine

4-(3,5-dinitro-2-pyridinyl)morpholine (PubChem CID 2847997) has the molecular formula C9H10N4O5 and a molecular weight of 254.20 g/mol. Its IUPAC name is 4-(3,5-dinitro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name4-(3,5-dinitro-2-pyridinyl)morpholine
PubChem CID2847997
Molecular FormulaC9H10N4O5
Molecular Weight254.20 g/mol
Exact Mass254.07
IUPAC Name4-(3,5-dinitro-2-pyridinyl)morpholine
SMILESO=[N+]([O-])c1cnc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N4O5/c14-12(15)7-5-8(13(16)17)9(10-6-7)11-1-3-18-4-2-11/h5-6H,1-4H2
InChIKeyOLMXISBUEJLUJL-UHFFFAOYSA-N
XLogP0.73
TPSA111.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Related Compounds

5-nitro-2-(1,4-oxazepan-4-yl)pyridine-3-carboxylic acid
CID 114046762
4-(3,5-dinitro-2-pyridinyl)-1,1-dimethylpiperazin-1-ium;methyl sulfate
CID 88537966
4-(5-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)morpholine
CID 67155951
8-(3-bromo-5-nitro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 79699313
1-(3-bromo-5-nitro-2-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine
CID 133335956
6-(2,2-dimethylmorpholin-4-yl)-5-nitropyridine-3-carboxylic acid
CID 81438643
2-morpholin-4-yl-3,5-dinitrobenzoyl chloride
CID 132593438
4-(4-nitro-1,2-thiazol-5-yl)morpholine
CID 71261785
4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine
CID 142614299
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-nitropyridine-3-carbonitrile
CID 112726998
1-(3-methyl-5-nitro-2-pyridinyl)piperidin-4-ol
CID 62477755
4-(4-iodo-3-nitrophenyl)morpholine
CID 121330336

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dinitro-2-pyridinyl)morpholine?
The IUPAC name of 4-(3,5-dinitro-2-pyridinyl)morpholine (CID 2847997) is 4-(3,5-dinitro-2-pyridinyl)morpholine.
What is the SMILES notation for 4-(3,5-dinitro-2-pyridinyl)morpholine?
The canonical SMILES for 4-(3,5-dinitro-2-pyridinyl)morpholine is O=[N+]([O-])c1cnc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(3,5-dinitro-2-pyridinyl)morpholine?
The InChIKey is OLMXISBUEJLUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O5/c14-12(15)7-5-8(13(16)17)9(10-6-7)11-1-3-18-4-2-11/h5-6H,1-4H2.
What are the key properties of 4-(3,5-dinitro-2-pyridinyl)morpholine?
4-(3,5-dinitro-2-pyridinyl)morpholine has a molecular weight of 254.20 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dinitro-2-pyridinyl)morpholine is sourced from PubChem (CID 2847997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).