[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C₁₅H₁₂F₂N₂O₅ — CID 2373487

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2373487) has the molecular formula C₁₅H₁₂F₂N₂O₅ and a molecular weight of 338.27 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

• Compound Name: [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
• PubChem CID: 2373487
• Molecular Formula: C₁₅H₁₂F₂N₂O₅
• Molecular Weight: 338.27 g/mol
• Exact Mass: 338.07
• IUPAC Name: [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
• SMILES: O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccccc1OC(F)F
• InChI: InChI=1S/C15H12F2N2O5/c16-15(17)24-11-6-2-1-5-10(11)19-12(20)8-23-14(22)9-4-3-7-18-13(9)21/h1-7,15H,8H2,(H,18,21)(H,19,20)
• InChIKey: RFDPHHOLTLQKMR-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 97.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.27
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?

The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2373487) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?

The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccccc1OC(F)F.

What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?

The InChIKey is RFDPHHOLTLQKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O5/c16-15(17)24-11-6-2-1-5-10(11)19-12(20)8-23-14(22)9-4-3-7-18-13(9)21/h1-7,15H,8H2,(H,18,21)(H,19,20).

What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 338.27 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2373487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2373487 — identifiers, structure, computed properties (public domain)

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