N'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide

C8H9N3O4 — CID 134574788

IUPACN'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide
SMILESCOc1c(/C(N)=N/O)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O4/c1-15-7-5(8(9)10-12)3-2-4-6(7)11(13)14/h2-4,12H,1H3,(H2,9,10)
InChIKeyVHFDOWIBOXEKSG-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.70
Rot. Bonds3

About N'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide

N'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide (PubChem CID 134574788) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide
PubChem CID134574788
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC NameN'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide
SMILESCOc1c(/C(N)=N/O)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O4/c1-15-7-5(8(9)10-12)3-2-4-6(7)11(13)14/h2-4,12H,1H3,(H2,9,10)
InChIKeyVHFDOWIBOXEKSG-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

2-methoxy-3-nitrobenzoyl chloride
CID 21406531
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
ethane;2-methoxy-N-methyl-3-nitrobenzamide
CID 143076658
potassium 2-methoxy-3-nitrophenol
CID 67083613
N'-hydroxy-2-methyl-6-nitrobenzenecarboximidamide
CID 124679312
(2-methoxy-3-nitrophenyl) dihydrogen phosphate
CID 172766793
N'-hydroxy-2-(1-methylpyrazol-3-yl)-3-nitrobenzenecarboximidamide
CID 173168248
N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide
CID 76934973
(2S)-2-hydroxy-3-[(2-methoxy-3-nitrobenzoyl)amino]propanoic acid
CID 107833599
N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-3-nitrobenzamide
CID 104981317
3-(2-bromo-3-nitrophenoxy)-N'-hydroxypyridazine-4-carboximidamide
CID 136952046
N'-hydroxy-2,3,4-trimethoxybenzenecarboximidamide
CID 43140206

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide (CID 134574788) is N'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide is COc1c(/C(N)=N/O)cccc1[N+](=O)[O-].
What is the InChIKey of N'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide?
The InChIKey is VHFDOWIBOXEKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-15-7-5(8(9)10-12)3-2-4-6(7)11(13)14/h2-4,12H,1H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-methoxy-3-nitrobenzenecarboximidamide?
N'-hydroxy-2-methoxy-3-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-3-nitrobenzenecarboximidamide is sourced from PubChem (CID 134574788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).