6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine

C12H16ClN3O4 — CID 114775810

IUPAC6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
SMILESCC1(C)CNCC(COc2ncc(Cl)cc2[N+](=O)[O-])O1
InChIInChI=1S/C12H16ClN3O4/c1-12(2)7-14-5-9(20-12)6-19-11-10(16(17)18)3-8(13)4-15-11/h3-4,9,14H,5-7H2,1-2H3
InChIKeyNJVPEUBWTIFJBM-UHFFFAOYSA-N
MW301.73 g/mol
LogP1.79
Rot. Bonds4

About 6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine

6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine (PubChem CID 114775810) has the molecular formula C12H16ClN3O4 and a molecular weight of 301.73 g/mol. Its IUPAC name is 6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
PubChem CID114775810
Molecular FormulaC12H16ClN3O4
Molecular Weight301.73 g/mol
Exact Mass301.08
IUPAC Name6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
SMILESCC1(C)CNCC(COc2ncc(Cl)cc2[N+](=O)[O-])O1
InChIInChI=1S/C12H16ClN3O4/c1-12(2)7-14-5-9(20-12)6-19-11-10(16(17)18)3-8(13)4-15-11/h3-4,9,14H,5-7H2,1-2H3
InChIKeyNJVPEUBWTIFJBM-UHFFFAOYSA-N
XLogP1.79
TPSA86.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 51.79
H-Bond Donors ≤ 51
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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Related Compounds

6-[(6,6-dimethylmorpholin-2-yl)methoxy]-5-nitropyridine-3-carbonitrile
CID 103473350
6-[(2,6-dichloro-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine
CID 106891998
2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine
CID 114775829
6-[(2-iodo-4-nitrophenoxy)methyl]-2,2-dimethylmorpholine
CID 114775752
6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
CID 114869831
2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine
CID 114775521
3-[(6,6-dimethylmorpholin-2-yl)methoxy]-1-ethylpyrazin-2-one
CID 114775957
5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
6-[(4-chloro-1,3-thiazol-2-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775902
7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114775928
5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methoxy]benzamide
CID 114775879
2-[(6,6-dimethylmorpholin-2-yl)methoxy]-4,6-dimethylpyridine-3-carboxamide
CID 114775730

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine?
The IUPAC name of 6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine (CID 114775810) is 6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine?
The canonical SMILES for 6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine is CC1(C)CNCC(COc2ncc(Cl)cc2[N+](=O)[O-])O1.
What is the InChIKey of 6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine?
The InChIKey is NJVPEUBWTIFJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O4/c1-12(2)7-14-5-9(20-12)6-19-11-10(16(17)18)3-8(13)4-15-11/h3-4,9,14H,5-7H2,1-2H3.
What are the key properties of 6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine?
6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine has a molecular weight of 301.73 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 114775810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).