N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide

C8H10N4O5 — CID 55037210

IUPACN'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide
SMILESN/C(=N/O)c1cc([N+](=O)[O-])cnc1OCCO
InChIInChI=1S/C8H10N4O5/c9-7(11-14)6-3-5(12(15)16)4-10-8(6)17-2-1-13/h3-4,13-14H,1-2H2,(H2,9,11)
InChIKeyQDXKNBBUEYDAMS-UHFFFAOYSA-N
MW242.19 g/mol
LogP-0.54
Rot. Bonds5

About N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide

N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide (PubChem CID 55037210) has the molecular formula C8H10N4O5 and a molecular weight of 242.19 g/mol. Its IUPAC name is N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide
PubChem CID55037210
Molecular FormulaC8H10N4O5
Molecular Weight242.19 g/mol
Exact Mass242.07
IUPAC NameN'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide
SMILESN/C(=N/O)c1cc([N+](=O)[O-])cnc1OCCO
InChIInChI=1S/C8H10N4O5/c9-7(11-14)6-3-5(12(15)16)4-10-8(6)17-2-1-13/h3-4,13-14H,1-2H2,(H2,9,11)
InChIKeyQDXKNBBUEYDAMS-UHFFFAOYSA-N
XLogP-0.54
TPSA144.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
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-(3,3-dimethylbutoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 77135490
N'-hydroxy-2-[3-hydroxypropyl(propan-2-yl)amino]-5-nitropyridine-3-carboximidamide
CID 76935259
2-butan-2-ylsulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935115
ethyl 5-nitro-2-propoxypyridine-3-carboxylate
CID 54001736
N'-hydroxy-2-[2-hydroxypropyl(methyl)amino]-5-nitropyridine-3-carboximidamide
CID 55060974
2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935257
N'-hydroxy-2-[2-methylpropyl(propan-2-yl)amino]-5-nitropyridine-3-carboximidamide
CID 62099214
2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 77017344
N'-hydroxy-2-(2-hydroxyethylsulfanyl)-5-nitrobenzenecarboximidamide
CID 55037385
N'-hydroxy-5-nitro-2-pyrazol-1-ylpyridine-3-carboximidamide
CID 76935233
3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide
CID 169161773
N'-hydroxy-2-[methyl(2-methylsulfanylethyl)amino]-5-nitropyridine-3-carboximidamide
CID 103954983

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide (CID 55037210) is N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide is N/C(=N/O)c1cc([N+](=O)[O-])cnc1OCCO.
What is the InChIKey of N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide?
The InChIKey is QDXKNBBUEYDAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O5/c9-7(11-14)6-3-5(12(15)16)4-10-8(6)17-2-1-13/h3-4,13-14H,1-2H2,(H2,9,11).
What are the key properties of N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide?
N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide has a molecular weight of 242.19 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-hydroxyethoxy)-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 55037210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).