N'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide

C9H7IN6O3 — CID 136890236

IUPACN'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide
SMILESN/C(=N/O)c1nc(-n2cc(I)cn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H7IN6O3/c10-5-3-12-15(4-5)7-2-1-6(16(18)19)8(13-7)9(11)14-17/h1-4,17H,(H2,11,14)
InChIKeyAZGRZCMEJAPXOH-UHFFFAOYSA-N
MW374.10 g/mol
LogP0.87
Rot. Bonds3

About N'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide

N'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide (PubChem CID 136890236) has the molecular formula C9H7IN6O3 and a molecular weight of 374.10 g/mol. Its IUPAC name is N'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide
PubChem CID136890236
Molecular FormulaC9H7IN6O3
Molecular Weight374.10 g/mol
Exact Mass373.96
IUPAC NameN'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide
SMILESN/C(=N/O)c1nc(-n2cc(I)cn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H7IN6O3/c10-5-3-12-15(4-5)7-2-1-6(16(18)19)8(13-7)9(11)14-17/h1-4,17H,(H2,11,14)
InChIKeyAZGRZCMEJAPXOH-UHFFFAOYSA-N
XLogP0.87
TPSA132.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.10
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(4-ethylpiperazin-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768896
N'-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide
CID 136768975
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136890230
N'-hydroxy-6-(4-hydroxy-3-methylpiperidin-1-yl)-3-nitropyridine-2-carboximidamide
CID 136890211
N'-hydroxy-6-(3-methoxypyrrolidin-1-yl)-3-nitropyridine-2-carboximidamide
CID 136868251
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768980
6-cyclobutyloxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136967800
6-[cyclopropyl(ethyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768902
6-ethoxy-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136890257
6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768970
N'-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-3-nitropyridine-2-carboximidamide
CID 136768958
N'-hydroxy-6-[methyl(3-methylbutyl)amino]-3-nitropyridine-2-carboximidamide
CID 136768945

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide (CID 136890236) is N'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide is N/C(=N/O)c1nc(-n2cc(I)cn2)ccc1[N+](=O)[O-].
What is the InChIKey of N'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide?
The InChIKey is AZGRZCMEJAPXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN6O3/c10-5-3-12-15(4-5)7-2-1-6(16(18)19)8(13-7)9(11)14-17/h1-4,17H,(H2,11,14).
What are the key properties of N'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide?
N'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide has a molecular weight of 374.10 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(4-iodopyrazol-1-yl)-3-nitropyridine-2-carboximidamide is sourced from PubChem (CID 136890236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).