Ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate

C₂₁H₁₇N₃O₂ — CID 142738029

About Ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate

Ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate (PubChem CID 142738029) has the molecular formula C₂₁H₁₇N₃O₂ and a molecular weight of 343.39 g/mol. Its IUPAC name is ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate.

Molecular Properties

• Compound Name: Ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate
• PubChem CID: 142738029
• Molecular Formula: C₂₁H₁₇N₃O₂
• Molecular Weight: 343.39 g/mol
• Exact Mass: 343.13
• IUPAC Name: ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate
• SMILES: CCOC(=O)C(=[N+]=[N-])c1cc(-c2ccccc2)ccc1-c1ccccn1
• InChI: InChI=1S/C21H17N3O2/c1-2-26-21(25)20(24-22)18-14-16(15-8-4-3-5-9-15)11-12-17(18)19-10-6-7-13-23-19/h3-14H,2H2,1H3
• InChIKey: JFDBTQKMCARSLF-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 75.59 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.39
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate?

The IUPAC name of Ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate (CID 142738029) is ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate.

What is the SMILES notation for Ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate?

The canonical SMILES for Ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate is CCOC(=O)C(=[N+]=[N-])c1cc(-c2ccccc2)ccc1-c1ccccn1.

What is the InChIKey of Ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate?

The InChIKey is JFDBTQKMCARSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-2-26-21(25)20(24-22)18-14-16(15-8-4-3-5-9-15)11-12-17(18)19-10-6-7-13-23-19/h3-14H,2H2,1H3.

What are the key properties of Ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate?

Ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate has a molecular weight of 343.39 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-diazo-2-(5-phenyl-2-pyridin-2-ylphenyl)acetate is sourced from PubChem (CID 142738029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142738029 — identifiers, structure, computed properties (public domain)

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