[2-(3,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

C14H10F2N2O4 — CID 2547158

IUPAC[2-(3,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2N2O4/c15-10-4-3-8(6-11(10)16)18-12(19)7-22-14(21)9-2-1-5-17-13(9)20/h1-6H,7H2,(H,17,20)(H,18,19)
InChIKeyUVZLWCFWDDQTJP-UHFFFAOYSA-N
MW308.24 g/mol
LogP1.45
Rot. Bonds4

About [2-(3,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2547158) has the molecular formula C14H10F2N2O4 and a molecular weight of 308.24 g/mol. Its IUPAC name is [2-(3,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(3,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2547158
Molecular FormulaC14H10F2N2O4
Molecular Weight308.24 g/mol
Exact Mass308.06
IUPAC Name[2-(3,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2N2O4/c15-10-4-3-8(6-11(10)16)18-12(19)7-22-14(21)9-2-1-5-17-13(9)20/h1-6H,7H2,(H,17,20)(H,18,19)
InChIKeyUVZLWCFWDDQTJP-UHFFFAOYSA-N
XLogP1.45
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2547158) is [2-(3,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is UVZLWCFWDDQTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O4/c15-10-4-3-8(6-11(10)16)18-12(19)7-22-14(21)9-2-1-5-17-13(9)20/h1-6H,7H2,(H,17,20)(H,18,19).
What are the key properties of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 308.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2547158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).