N'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide

C14H13N3O5 — CID 58710220

IUPACN'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])cc2/C(N)=N/O)c(O)c1
InChIInChI=1S/C14H13N3O5/c1-8-2-4-13(11(18)6-8)22-12-5-3-9(17(20)21)7-10(12)14(15)16-19/h2-7,18-19H,1H3,(H2,15,16)
InChIKeyNCQXEQBJZRNKHE-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.50
Rot. Bonds4

About N'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide

N'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide (PubChem CID 58710220) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is N'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide
PubChem CID58710220
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC NameN'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])cc2/C(N)=N/O)c(O)c1
InChIInChI=1S/C14H13N3O5/c1-8-2-4-13(11(18)6-8)22-12-5-3-9(17(20)21)7-10(12)14(15)16-19/h2-7,18-19H,1H3,(H2,15,16)
InChIKeyNCQXEQBJZRNKHE-UHFFFAOYSA-N
XLogP2.50
TPSA131.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.50
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-2-methoxy-5-nitrobenzenecarboximidamide
CID 76934973
N'-hydroxy-2-(2-methylbutan-2-yloxy)-5-nitrobenzenecarboximidamide
CID 76935214
2-chloro-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 25418108
1-[2-(2-bromo-4-methylphenoxy)-5-nitrophenyl]ethanone
CID 62871942
5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 107930878
5-bromo-N'-hydroxy-2-(3-nitrophenoxy)benzenecarboximidamide
CID 114892757
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097
5-chloro-2-(2-chloro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 76953392
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131
2-(2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930089
2-(2,3-dimethylphenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930140
N'-hydroxy-5-nitro-2-propylsulfanylbenzenecarboximidamide
CID 76935073

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide (CID 58710220) is N'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide is Cc1ccc(Oc2ccc([N+](=O)[O-])cc2/C(N)=N/O)c(O)c1.
What is the InChIKey of N'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide?
The InChIKey is NCQXEQBJZRNKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-8-2-4-13(11(18)6-8)22-12-5-3-9(17(20)21)7-10(12)14(15)16-19/h2-7,18-19H,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide?
N'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide has a molecular weight of 303.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-hydroxy-4-methylphenoxy)-5-nitrobenzenecarboximidamide is sourced from PubChem (CID 58710220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).