N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide

C11H9N5O3S — CID 103471011

IUPACN'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide
SMILESN/C(=N/O)c1cnc(Sc2ccccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9N5O3S/c12-10(15-17)7-5-8(16(18)19)11(14-6-7)20-9-3-1-2-4-13-9/h1-6,17H,(H2,12,15)
InChIKeyFUGFHMPNWMRWFM-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.63
Rot. Bonds4

About N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide

N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide (PubChem CID 103471011) has the molecular formula C11H9N5O3S and a molecular weight of 291.29 g/mol. Its IUPAC name is N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide
PubChem CID103471011
Molecular FormulaC11H9N5O3S
Molecular Weight291.29 g/mol
Exact Mass291.04
IUPAC NameN'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide
SMILESN/C(=N/O)c1cnc(Sc2ccccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9N5O3S/c12-10(15-17)7-5-8(16(18)19)11(14-6-7)20-9-3-1-2-4-13-9/h1-6,17H,(H2,12,15)
InChIKeyFUGFHMPNWMRWFM-UHFFFAOYSA-N
XLogP1.63
TPSA127.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.63
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

6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103471009
N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 106922582
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103471063
N'-hydroxy-6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyridine-3-carboximidamide
CID 103470739
5-nitro-6-pyrazin-2-ylsulfanylpyridine-3-carboxylic acid
CID 81438978
N'-hydroxy-6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyridine-3-carboximidamide
CID 107749603
6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470626
4-[(5-bromo-2-pyridinyl)sulfanyl]-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 77025014
N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide
CID 103470566
N'-hydroxy-6-(4-hydroxypiperidin-1-yl)-5-nitropyridine-3-carboximidamide
CID 103470251
N'-hydroxy-2-pyridin-2-ylsulfanylbenzenecarboximidamide
CID 43200069
5-nitro-6-pyridin-4-ylsulfanylpyridine-3-carboxylic acid
CID 81440204

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide (CID 103471011) is N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide is N/C(=N/O)c1cnc(Sc2ccccn2)c([N+](=O)[O-])c1.
What is the InChIKey of N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide?
The InChIKey is FUGFHMPNWMRWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O3S/c12-10(15-17)7-5-8(16(18)19)11(14-6-7)20-9-3-1-2-4-13-9/h1-6,17H,(H2,12,15).
What are the key properties of N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide?
N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide has a molecular weight of 291.29 g/mol, XLogP of 1.63, 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-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide is sourced from PubChem (CID 103471011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).