6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid

C11H13N3O6 — CID 114404726

IUPAC6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(N2CCOCC2CO)n1
InChIInChI=1S/C11H13N3O6/c15-5-7-6-20-4-3-13(7)10-9(14(18)19)2-1-8(12-10)11(16)17/h1-2,7,15H,3-6H2,(H,16,17)
InChIKeyJZLKVBKQNVGSBZ-UHFFFAOYSA-N
MW283.24 g/mol
LogP-0.11
Rot. Bonds4

About 6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid

6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid (PubChem CID 114404726) has the molecular formula C11H13N3O6 and a molecular weight of 283.24 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid
PubChem CID114404726
Molecular FormulaC11H13N3O6
Molecular Weight283.24 g/mol
Exact Mass283.08
IUPAC Name6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])c(N2CCOCC2CO)n1
InChIInChI=1S/C11H13N3O6/c15-5-7-6-20-4-3-13(7)10-9(14(18)19)2-1-8(12-10)11(16)17/h1-2,7,15H,3-6H2,(H,16,17)
InChIKeyJZLKVBKQNVGSBZ-UHFFFAOYSA-N
XLogP-0.11
TPSA126.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
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

6-[2-(hydroxymethyl)azepan-1-yl]-5-nitropyridine-2-carboxylic acid
CID 114404730
6-[3-(hydroxymethyl)morpholin-4-yl]-3-nitropyridine-2-carbonitrile
CID 103472986
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-nitropyridine-2-carboxylic acid
CID 114404059
5-nitro-6-(1,4-oxazepan-4-yl)pyridine-2-carboxylic acid
CID 114404068
6-(azepan-1-yl)-5-nitropyridine-2-carboxylic acid
CID 114403402
6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-nitropyridine-2-carboxylic acid
CID 104967595
2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 83842677
[4-(6-chloro-4-nitro-2-pyridinyl)morpholin-3-yl]methanol
CID 114070875
[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 80794786
4-bromo-5-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-2-nitrobenzonitrile
CID 171094713
6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid
CID 106836186
[1-(6-methoxy-3-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636978

Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid (CID 114404726) is 6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid is O=C(O)c1ccc([N+](=O)[O-])c(N2CCOCC2CO)n1.
What is the InChIKey of 6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid?
The InChIKey is JZLKVBKQNVGSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6/c15-5-7-6-20-4-3-13(7)10-9(14(18)19)2-1-8(12-10)11(16)17/h1-2,7,15H,3-6H2,(H,16,17).
What are the key properties of 6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid?
6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid has a molecular weight of 283.24 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)morpholin-4-yl]-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 114404726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).