N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide

C12H10N4O4 — CID 136990849

IUPACN'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C12H10N4O4/c13-12(15-17)11-6-5-10(7-14-11)20-9-3-1-8(2-4-9)16(18)19/h1-7,17H,(H2,13,15)
InChIKeyLGKBWEINFCZJQI-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.88
Rot. Bonds4

About N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide

N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide (PubChem CID 136990849) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide
PubChem CID136990849
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC NameN'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C12H10N4O4/c13-12(15-17)11-6-5-10(7-14-11)20-9-3-1-8(2-4-9)16(18)19/h1-7,17H,(H2,13,15)
InChIKeyLGKBWEINFCZJQI-UHFFFAOYSA-N
XLogP1.88
TPSA123.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-pyridin-3-yloxypyridine-2-carboximidamide
CID 136990827
5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990840
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990918
5-(4-nitrophenoxy)pyridine-2-carbonitrile
CID 115487944
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
4-(2-bromo-5-nitrophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136805278
N'-hydroxy-2-(4-nitrophenoxy)ethanimidamide
CID 17052821
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940555
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 115940057
N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide
CID 136967358
5-cyclobutyloxy-N'-hydroxypyridine-2-carboximidamide
CID 136990877

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide (CID 136990849) is N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide is N/C(=N/O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide?
The InChIKey is LGKBWEINFCZJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4/c13-12(15-17)11-6-5-10(7-14-11)20-9-3-1-8(2-4-9)16(18)19/h1-7,17H,(H2,13,15).
What are the key properties of N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide?
N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide has a molecular weight of 274.24 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 136990849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).