6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide

C8H10N4O4 — CID 136890257

IUPAC6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
SMILESCCOc1ccc([N+](=O)[O-])c(/C(N)=N/O)n1
InChIInChI=1S/C8H10N4O4/c1-2-16-6-4-3-5(12(14)15)7(10-6)8(9)11-13/h3-4,13H,2H2,1H3,(H2,9,11)
InChIKeyNGMRGODHNKSBCS-UHFFFAOYSA-N
MW226.19 g/mol
LogP0.48
Rot. Bonds4

About 6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide

6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide (PubChem CID 136890257) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide.

Molecular Properties

Compound Name6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
PubChem CID136890257
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
SMILESCCOc1ccc([N+](=O)[O-])c(/C(N)=N/O)n1
InChIInChI=1S/C8H10N4O4/c1-2-16-6-4-3-5(12(14)15)7(10-6)8(9)11-13/h3-4,13H,2H2,1H3,(H2,9,11)
InChIKeyNGMRGODHNKSBCS-UHFFFAOYSA-N
XLogP0.48
TPSA123.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide
CID 136890310
6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136792814
N'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide
CID 136890293
6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136967800
N'-hydroxy-6-(3-methylcyclohexyl)oxy-3-nitropyridine-2-carboximidamide
CID 136890275
N'-hydroxy-6-(2-methoxyethylsulfanyl)-3-nitropyridine-2-carboximidamide
CID 136967804
6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768896
6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768902
6-ethoxy-N-methyl-3-nitropyridin-2-amine
CID 10631783
6-ethoxy-3-nitropyridine-2-carbaldehyde
CID 86659062
6-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768951
6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768970

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The IUPAC name of 6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide (CID 136890257) is 6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide.
What is the SMILES notation for 6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The canonical SMILES for 6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide is CCOc1ccc([N+](=O)[O-])c(/C(N)=N/O)n1.
What is the InChIKey of 6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The InChIKey is NGMRGODHNKSBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c1-2-16-6-4-3-5(12(14)15)7(10-6)8(9)11-13/h3-4,13H,2H2,1H3,(H2,9,11).
What are the key properties of 6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide?
6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide has a molecular weight of 226.19 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide is sourced from PubChem (CID 136890257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).