4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide

C7H8N3O3+ — CID 59842978

IUPAC4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide
SMILESCOc1cc([NH+]([O-])O)ccc1[N+]#N
InChIInChI=1S/C7H8N3O3/c1-13-7-4-5(10(11)12)2-3-6(7)9-8/h2-4,10-11H,1H3/q+1
InChIKeyGXZBLSPHXUNZFU-UHFFFAOYSA-N
MW182.16 g/mol
LogP0.58
Rot. Bonds2

About 4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide

4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide (PubChem CID 59842978) has the molecular formula C7H8N3O3+ and a molecular weight of 182.16 g/mol. Its IUPAC name is 4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide.

Molecular Properties

Compound Name4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide
PubChem CID59842978
Molecular FormulaC7H8N3O3+
Molecular Weight182.16 g/mol
Exact Mass182.06
IUPAC Name4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide
SMILESCOc1cc([NH+]([O-])O)ccc1[N+]#N
InChIInChI=1S/C7H8N3O3/c1-13-7-4-5(10(11)12)2-3-6(7)9-8/h2-4,10-11H,1H3/q+1
InChIKeyGXZBLSPHXUNZFU-UHFFFAOYSA-N
XLogP0.58
TPSA85.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-3-methoxyphenyl)-2-methoxybenzenediazonium
CID 58689931
4-anilino-2-methoxybenzenediazonium bromide
CID 19770680
2-diazonio-6-methoxybenzoate
CID 134897591
2-methoxy-5-sulfobenzenediazonium
CID 134929744
2-methoxy-4-(N-sulfoanilino)benzenediazonium
CID 18916267
N-(5-diazonio-2,4-dimethoxyphenyl)benzenecarboximidate;hydrochloride
CID 171375778
4-[(E)-1-cyano-2-(2,5-dimethoxyphenyl)ethenyl]-N-hydroxybenzeneamine oxide
CID 22299248
5-(dimethylamino)-2-methoxybenzenediazonium
CID 57013987
tetrakis(fluoro(dioxido)borane);octakis(4-methoxynaphthalene-1-diazonium)
CID 173427492
2-carboxy-4,5-dimethoxybenzenediazonium chloride
CID 13163159
5-chloro-2-methoxybenzenediazonium;dichlorozinc;chloride
CID 53442212
5-bromo-4-methoxy-2-methylbenzenediazonium
CID 87141398

Frequently Asked Questions

What is the IUPAC name of 4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide?
The IUPAC name of 4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide (CID 59842978) is 4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide.
What is the SMILES notation for 4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide?
The canonical SMILES for 4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide is COc1cc([NH+]([O-])O)ccc1[N+]#N.
What is the InChIKey of 4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide?
The InChIKey is GXZBLSPHXUNZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N3O3/c1-13-7-4-5(10(11)12)2-3-6(7)9-8/h2-4,10-11H,1H3/q+1.
What are the key properties of 4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide?
4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide has a molecular weight of 182.16 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazonio-N-hydroxy-3-methoxybenzeneamine oxide is sourced from PubChem (CID 59842978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).