2-carboxy-4-diazoniophenolate

C7H4N2O3 — CID 54682470

IUPAC2-carboxy-4-diazoniophenolate
SMILESN#[N+]c1ccc([O-])c(C(=O)O)c1
InChIInChI=1S/C7H4N2O3/c8-9-4-1-2-6(10)5(3-4)7(11)12/h1-3H,(H-,10,11,12)
InChIKeyVYRRSPJGXCHDEF-UHFFFAOYSA-N
MW164.12 g/mol
LogP0.94
Rot. Bonds1

About 2-carboxy-4-diazoniophenolate

2-carboxy-4-diazoniophenolate (PubChem CID 54682470) has the molecular formula C7H4N2O3 and a molecular weight of 164.12 g/mol. Its IUPAC name is 2-carboxy-4-diazoniophenolate.

Molecular Properties

Compound Name2-carboxy-4-diazoniophenolate
PubChem CID54682470
Molecular FormulaC7H4N2O3
Molecular Weight164.12 g/mol
Exact Mass164.02
IUPAC Name2-carboxy-4-diazoniophenolate
SMILESN#[N+]c1ccc([O-])c(C(=O)O)c1
InChIInChI=1S/C7H4N2O3/c8-9-4-1-2-6(10)5(3-4)7(11)12/h1-3H,(H-,10,11,12)
InChIKeyVYRRSPJGXCHDEF-UHFFFAOYSA-N
XLogP0.94
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-carboxy-4-nitrobenzenediazonium
CID 87256955
azanium 2-carboxy-4-hydroxyphenolate
CID 54715378
sodium 2,4-dicarboxyphenolate
CID 159837316
bismuth tris(2-carboxy-4-chlorophenolate)
CID 54734267
5-carboxynaphthalene-2-diazonium
CID 155817948
copper bis(2-carboxyphenolate)
CID 54683201
4-(azaniumylmethyl)-2-carboxyphenolate
CID 54740958
cesium 5-amino-2-carboxyphenolate
CID 23674816
CID 171375610
CID 171375610
zinc;aniline;bis(2-carboxyphenolate)
CID 159754603
zinc bis(4-benzhydryl-2-carboxyphenolate)
CID 70595739
zinc bis(4-benzyl-2-carboxyphenolate)
CID 70522720

Frequently Asked Questions

What is the IUPAC name of 2-carboxy-4-diazoniophenolate?
The IUPAC name of 2-carboxy-4-diazoniophenolate (CID 54682470) is 2-carboxy-4-diazoniophenolate.
What is the SMILES notation for 2-carboxy-4-diazoniophenolate?
The canonical SMILES for 2-carboxy-4-diazoniophenolate is N#[N+]c1ccc([O-])c(C(=O)O)c1.
What is the InChIKey of 2-carboxy-4-diazoniophenolate?
The InChIKey is VYRRSPJGXCHDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3/c8-9-4-1-2-6(10)5(3-4)7(11)12/h1-3H,(H-,10,11,12).
What are the key properties of 2-carboxy-4-diazoniophenolate?
2-carboxy-4-diazoniophenolate has a molecular weight of 164.12 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-4-diazoniophenolate is sourced from PubChem (CID 54682470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).