N'-hydroxy-5-nitro-2-(oxetan-3-ylsulfanyl)pyridine-3-carboximidamide

C9H10N4O4S — CID 79325838

IUPACN'-hydroxy-5-nitro-2-(oxetan-3-ylsulfanyl)pyridine-3-carboximidamide
SMILESNC(=NO)c1cc([N+](=O)[O-])cnc1SC1COC1
InChIInChI=1S/C9H10N4O4S/c10-8(12-14)7-1-5(13(15)16)2-11-9(7)18-6-3-17-4-6/h1-2,6,14H,3-4H2,(H2,10,12)
InChIKeyOIASTSHVKRJBFU-UHFFFAOYSA-N
MW270.27 g/mol
LogP0.58
Rot. Bonds4

About N'-hydroxy-5-nitro-2-(oxetan-3-ylsulfanyl)pyridine-3-carboximidamide

N'-hydroxy-5-nitro-2-(oxetan-3-ylsulfanyl)pyridine-3-carboximidamide (PubChem CID 79325838) has the molecular formula C9H10N4O4S and a molecular weight of 270.27 g/mol. Its IUPAC name is N'-hydroxy-5-nitro-2-(oxetan-3-ylsulfanyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-nitro-2-(oxetan-3-ylsulfanyl)pyridine-3-carboximidamide
PubChem CID79325838
Molecular FormulaC9H10N4O4S
Molecular Weight270.27 g/mol
Exact Mass270.04
IUPAC NameN'-hydroxy-5-nitro-2-(oxetan-3-ylsulfanyl)pyridine-3-carboximidamide
SMILESNC(=NO)c1cc([N+](=O)[O-])cnc1SC1COC1
InChIInChI=1S/C9H10N4O4S/c10-8(12-14)7-1-5(13(15)16)2-11-9(7)18-6-3-17-4-6/h1-2,6,14H,3-4H2,(H2,10,12)
InChIKeyOIASTSHVKRJBFU-UHFFFAOYSA-N
XLogP0.58
TPSA123.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 50.58
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

N'-hydroxy-5-nitro-2-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 106922583
2-butan-2-ylsulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935115
2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 77037128
N'-hydroxy-5-nitro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboximidamide
CID 77135910
N'-hydroxy-2-(4-methylpiperidin-1-yl)-5-nitropyridine-3-carboximidamide
CID 76934954
N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide
CID 55037210
2-cyclopentylsulfanyl-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 76982850
2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935257
2-(4-ethylpiperidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935223
N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide
CID 76935233
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 83219682
3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide
CID 169161773

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-nitro-2-(oxetan-3-ylsulfanyl)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-5-nitro-2-(oxetan-3-ylsulfanyl)pyridine-3-carboximidamide (CID 79325838) is N'-hydroxy-5-nitro-2-(oxetan-3-ylsulfanyl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-nitro-2-(oxetan-3-ylsulfanyl)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-5-nitro-2-(oxetan-3-ylsulfanyl)pyridine-3-carboximidamide is NC(=NO)c1cc([N+](=O)[O-])cnc1SC1COC1.
What is the InChIKey of N'-hydroxy-5-nitro-2-(oxetan-3-ylsulfanyl)pyridine-3-carboximidamide?
The InChIKey is OIASTSHVKRJBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4S/c10-8(12-14)7-1-5(13(15)16)2-11-9(7)18-6-3-17-4-6/h1-2,6,14H,3-4H2,(H2,10,12).
What are the key properties of N'-hydroxy-5-nitro-2-(oxetan-3-ylsulfanyl)pyridine-3-carboximidamide?
N'-hydroxy-5-nitro-2-(oxetan-3-ylsulfanyl)pyridine-3-carboximidamide has a molecular weight of 270.27 g/mol, XLogP of 0.58, 4 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-(oxetan-3-ylsulfanyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79325838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).