N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide

C13H11N3O5 — CID 73050036

IUPACN'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide
SMILESNC(=NO)c1ccc(Oc2ccccc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O5/c14-13(15-18)8-5-6-11(9(7-8)16(19)20)21-12-4-2-1-3-10(12)17/h1-7,17-18H,(H2,14,15)
InChIKeySHJWVAUFRXUOEO-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.19
Rot. Bonds4

About N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide

N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide (PubChem CID 73050036) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide
PubChem CID73050036
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC NameN'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide
SMILESNC(=NO)c1ccc(Oc2ccccc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11N3O5/c14-13(15-18)8-5-6-11(9(7-8)16(19)20)21-12-4-2-1-3-10(12)17/h1-7,17-18H,(H2,14,15)
InChIKeySHJWVAUFRXUOEO-UHFFFAOYSA-N
XLogP2.19
TPSA131.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.19
H-Bond Donors ≤ 53
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-4-(2-methylphenoxy)-3-nitrobenzenecarboximidamide
CID 76935049
4-(4-bromophenoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76935020
4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 80695376
4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76934909
N'-hydroxy-4-(2-methylbutan-2-yloxy)-3-nitrobenzenecarboximidamide
CID 76935052
5-chloro-N'-hydroxy-2-(2-nitrophenoxy)benzenecarboximidamide
CID 76944716
4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76922536
1-[3-nitro-4-(2-nitrophenoxy)phenyl]ethanone
CID 9279079
2-(4-acetyl-2-nitrophenoxy)benzamide
CID 9251324
1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone
CID 9282374
6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470626
(3-nitro-4-phenoxyphenyl)-phenylmethanone
CID 3531975

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide (CID 73050036) is N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide is NC(=NO)c1ccc(Oc2ccccc2O)c([N+](=O)[O-])c1.
What is the InChIKey of N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide?
The InChIKey is SHJWVAUFRXUOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c14-13(15-18)8-5-6-11(9(7-8)16(19)20)21-12-4-2-1-3-10(12)17/h1-7,17-18H,(H2,14,15).
What are the key properties of N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide?
N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide has a molecular weight of 289.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide is sourced from PubChem (CID 73050036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).