N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide

C8H9N3O4 — CID 76934973

IUPACN'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(N)=NO
InChIInChI=1S/C8H9N3O4/c1-15-7-3-2-5(11(13)14)4-6(7)8(9)10-12/h2-4,12H,1H3,(H2,9,10)
InChIKeyYAYZIGWHVDNZBC-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.70
Rot. Bonds3

About N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide

N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide (PubChem CID 76934973) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide
PubChem CID76934973
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC NameN'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(N)=NO
InChIInChI=1S/C8H9N3O4/c1-15-7-3-2-5(11(13)14)4-6(7)8(9)10-12/h2-4,12H,1H3,(H2,9,10)
InChIKeyYAYZIGWHVDNZBC-UHFFFAOYSA-N
XLogP0.70
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide
CID 58710220
N'-hydroxy-2-(2-methylbutan-2-yloxy)-5-nitrobenzenecarboximidamide
CID 76935214
2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 25418108
2-methoxy-5-nitrobenzoic acid;zinc
CID 67791241
N'-hydroxy-5-nitro-2-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide
CID 76935388
(2-methoxy-5-nitrophenyl) 2-methyl-5-nitrobenzoate
CID 60596786
N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide
CID 121290420
(2-methoxy-5-nitrophenyl) hydrogen sulfate
CID 91556301
propan-2-yl 2-methoxy-5-nitrobenzoate
CID 112722997
2-[ethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 55037200
N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide
CID 55036254
N'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 76935447

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide (CID 76934973) is N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide is COc1ccc([N+](=O)[O-])cc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide?
The InChIKey is YAYZIGWHVDNZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-15-7-3-2-5(11(13)14)4-6(7)8(9)10-12/h2-4,12H,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide?
N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide has a molecular weight of 211.18 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide is sourced from PubChem (CID 76934973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).