2-carboxy-4-hydroxybenzenediazonium

C7H5N2O3+ — CID 86186589

IUPAC2-carboxy-4-hydroxybenzenediazonium
SMILESN#[N+]c1ccc(O)cc1C(=O)O
InChIInChI=1S/C7H4N2O3/c8-9-6-2-1-4(10)3-5(6)7(11)12/h1-3H,(H-,10,11,12)/p+1
InChIKeyQCXRNLYYEXVOOJ-UHFFFAOYSA-O
MW165.13 g/mol
LogP1.57
Rot. Bonds1

About 2-carboxy-4-hydroxybenzenediazonium

2-carboxy-4-hydroxybenzenediazonium (PubChem CID 86186589) has the molecular formula C7H5N2O3+ and a molecular weight of 165.13 g/mol. Its IUPAC name is 2-carboxy-4-hydroxybenzenediazonium.

Molecular Properties

Compound Name2-carboxy-4-hydroxybenzenediazonium
PubChem CID86186589
Molecular FormulaC7H5N2O3+
Molecular Weight165.13 g/mol
Exact Mass165.03
IUPAC Name2-carboxy-4-hydroxybenzenediazonium
SMILESN#[N+]c1ccc(O)cc1C(=O)O
InChIInChI=1S/C7H4N2O3/c8-9-6-2-1-4(10)3-5(6)7(11)12/h1-3H,(H-,10,11,12)/p+1
InChIKeyQCXRNLYYEXVOOJ-UHFFFAOYSA-O
XLogP1.57
TPSA85.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.13
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-carboxy-4-hydroxybenzenediazonium?
The IUPAC name of 2-carboxy-4-hydroxybenzenediazonium (CID 86186589) is 2-carboxy-4-hydroxybenzenediazonium.
What is the SMILES notation for 2-carboxy-4-hydroxybenzenediazonium?
The canonical SMILES for 2-carboxy-4-hydroxybenzenediazonium is N#[N+]c1ccc(O)cc1C(=O)O.
What is the InChIKey of 2-carboxy-4-hydroxybenzenediazonium?
The InChIKey is QCXRNLYYEXVOOJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H4N2O3/c8-9-6-2-1-4(10)3-5(6)7(11)12/h1-3H,(H-,10,11,12)/p+1.
What are the key properties of 2-carboxy-4-hydroxybenzenediazonium?
2-carboxy-4-hydroxybenzenediazonium has a molecular weight of 165.13 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-4-hydroxybenzenediazonium is sourced from PubChem (CID 86186589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).