N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide

C9H8N6O3 — CID 76935233

IUPACN'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide
SMILESNC(=NO)c1cc([N+](=O)[O-])cnc1-n1cccn1
InChIInChI=1S/C9H8N6O3/c10-8(13-16)7-4-6(15(17)18)5-11-9(7)14-3-1-2-12-14/h1-5,16H,(H2,10,13)
InChIKeyVYFLNXUGARVZEC-UHFFFAOYSA-N
MW248.20 g/mol
LogP0.27
Rot. Bonds3

About N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide

N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide (PubChem CID 76935233) has the molecular formula C9H8N6O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide
PubChem CID76935233
Molecular FormulaC9H8N6O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC NameN'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide
SMILESNC(=NO)c1cc([N+](=O)[O-])cnc1-n1cccn1
InChIInChI=1S/C9H8N6O3/c10-8(13-16)7-4-6(15(17)18)5-11-9(7)14-3-1-2-12-14/h1-5,16H,(H2,10,13)
InChIKeyVYFLNXUGARVZEC-UHFFFAOYSA-N
XLogP0.27
TPSA132.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 50.27
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': '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

2-(4-bromopyrazol-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935236
N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide
CID 76934954
N'-hydroxy-5-nitro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboximidamide
CID 77135910
2-(4-ethylpiperidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935223
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 83219682
5-nitro-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 55239598
N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide
CID 55037210
2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 77037128
N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 106922583
2-(3,3-dimethylbutoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 77135490
N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carboximidamide
CID 55060974
2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 77017344

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide (CID 76935233) is N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide is NC(=NO)c1cc([N+](=O)[O-])cnc1-n1cccn1.
What is the InChIKey of N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide?
The InChIKey is VYFLNXUGARVZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O3/c10-8(13-16)7-4-6(15(17)18)5-11-9(7)14-3-1-2-12-14/h1-5,16H,(H2,10,13).
What are the key properties of N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide?
N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide has a molecular weight of 248.20 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide is sourced from PubChem (CID 76935233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).