5-Carboxynaphthalene-2-diazonium

C₁₁H₇N₂O₂+ — CID 155817948

About 5-Carboxynaphthalene-2-diazonium

5-Carboxynaphthalene-2-diazonium (PubChem CID 155817948) has the molecular formula C₁₁H₇N₂O₂+ and a molecular weight of 199.19 g/mol. Its IUPAC name is 5-carboxynaphthalene-2-diazonium.

Molecular Properties

• Compound Name: 5-Carboxynaphthalene-2-diazonium
• PubChem CID: 155817948
• Molecular Formula: C₁₁H₇N₂O₂+
• Molecular Weight: 199.19 g/mol
• Exact Mass: 199.05
• IUPAC Name: 5-carboxynaphthalene-2-diazonium
• SMILES: N#[N+]c1ccc2c(C(=O)O)cccc2c1
• InChI: InChI=1S/C11H6N2O2/c12-13-8-4-5-9-7(6-8)2-1-3-10(9)11(14)15/h1-6H/p+1
• InChIKey: JQUMZJYJKASKAC-UHFFFAOYSA-O
• XLogP: 3.02
• TPSA: 65.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	199.19
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-Carboxynaphthalene-2-diazonium?

The IUPAC name of 5-Carboxynaphthalene-2-diazonium (CID 155817948) is 5-carboxynaphthalene-2-diazonium.

What is the SMILES notation for 5-Carboxynaphthalene-2-diazonium?

The canonical SMILES for 5-Carboxynaphthalene-2-diazonium is N#[N+]c1ccc2c(C(=O)O)cccc2c1.

What is the InChIKey of 5-Carboxynaphthalene-2-diazonium?

The InChIKey is JQUMZJYJKASKAC-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H6N2O2/c12-13-8-4-5-9-7(6-8)2-1-3-10(9)11(14)15/h1-6H/p+1.

What are the key properties of 5-Carboxynaphthalene-2-diazonium?

5-Carboxynaphthalene-2-diazonium has a molecular weight of 199.19 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-Carboxynaphthalene-2-diazonium is sourced from PubChem (CID 155817948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155817948 — identifiers, structure, computed properties (public domain)

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