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

C10H12N4O4 — CID 136967800

IUPAC6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
SMILESN/C(=N/O)c1nc(OC2CCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O4/c11-10(13-15)9-7(14(16)17)4-5-8(12-9)18-6-2-1-3-6/h4-6,15H,1-3H2,(H2,11,13)
InChIKeyYOIHQVUBJBVLMW-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.02
Rot. Bonds4

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

6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide (PubChem CID 136967800) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide.

Molecular Properties

Compound Name6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
PubChem CID136967800
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
SMILESN/C(=N/O)c1nc(OC2CCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O4/c11-10(13-15)9-7(14(16)17)4-5-8(12-9)18-6-2-1-3-6/h4-6,15H,1-3H2,(H2,11,13)
InChIKeyYOIHQVUBJBVLMW-UHFFFAOYSA-N
XLogP1.02
TPSA123.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.02
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-6-(3-methylcyclohexyl)oxy-3-nitropyridine-2-carboximidamide
CID 136890275
6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136890257
6-[2-[cyclopropyl(methyl)amino]ethoxy]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136792814
6-[cyclohexyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768891
N'-hydroxy-3-nitro-6-(4,4,4-trifluorobutoxy)pyridine-2-carboximidamide
CID 136890310
N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide
CID 136868251
N'-hydroxy-6-[(6-methyl-3-pyridinyl)oxy]-3-nitropyridine-2-carboximidamide
CID 136890293
4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76934909
N'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide
CID 136768975
6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768902
6-[butyl(cyclopropyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768951
N'-hydroxy-6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carboximidamide
CID 136890211

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The IUPAC name of 6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide (CID 136967800) is 6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide.
What is the SMILES notation for 6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The canonical SMILES for 6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide is N/C(=N/O)c1nc(OC2CCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide?
The InChIKey is YOIHQVUBJBVLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c11-10(13-15)9-7(14(16)17)4-5-8(12-9)18-6-2-1-3-6/h4-6,15H,1-3H2,(H2,11,13).
What are the key properties of 6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide?
6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide has a molecular weight of 252.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide is sourced from PubChem (CID 136967800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).