methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate

C12H15N3O5 — CID 104775304

IUPACmethyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C12H15N3O5/c1-8-5-9(15(17)18)6-13-11(8)14-3-4-20-7-10(14)12(16)19-2/h5-6,10H,3-4,7H2,1-2H3
InChIKeyWFCZXHGDJSRMMD-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.68
Rot. Bonds3

About methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate

methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate (PubChem CID 104775304) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate
PubChem CID104775304
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Namemethyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C12H15N3O5/c1-8-5-9(15(17)18)6-13-11(8)14-3-4-20-7-10(14)12(16)19-2/h5-6,10H,3-4,7H2,1-2H3
InChIKeyWFCZXHGDJSRMMD-UHFFFAOYSA-N
XLogP0.68
TPSA94.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.68
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

methyl 4-(3-methylpyrazin-2-yl)morpholine-3-carboxylate
CID 104775194
1-(3-methyl-5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 62477365
methyl 4-(5-chloro-2-methyl-4-nitrophenyl)morpholine-3-carboxylate
CID 104775195
methyl 4-(5-chloro-2-nitrophenyl)morpholine-3-carboxylate
CID 104775116
methyl 4-(5-bromo-2-nitrophenyl)morpholine-3-carboxylate
CID 104775288
methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate
CID 104775170
methyl 4-(3-chloro-2-pyridinyl)morpholine-3-carboxylate
CID 104775121
methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate
CID 104775122
methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate
CID 104774583
methyl 4-(6-propan-2-ylpyrimidin-4-yl)morpholine-3-carboxylate
CID 113451826
1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol
CID 106673378
3-methyl-5-nitro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyridine
CID 133453194

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate (CID 104775304) is methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate is COC(=O)C1COCCN1c1ncc([N+](=O)[O-])cc1C.
What is the InChIKey of methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate?
The InChIKey is WFCZXHGDJSRMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-8-5-9(15(17)18)6-13-11(8)14-3-4-20-7-10(14)12(16)19-2/h5-6,10H,3-4,7H2,1-2H3.
What are the key properties of methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate?
methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate has a molecular weight of 281.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate is sourced from PubChem (CID 104775304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).