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

C14H10F2N2O4 — CID 2436969

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H10F2N2O4/c15-8-3-4-11(10(16)6-8)18-12(19)7-22-14(21)9-2-1-5-17-13(9)20/h1-6H,7H2,(H,17,20)(H,18,19)
InChIKeyLPBWAGBRFWJTDO-UHFFFAOYSA-N
MW308.24 g/mol
LogP1.45
Rot. Bonds4

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

[2-(2,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (PubChem CID 2436969) has the molecular formula C14H10F2N2O4 and a molecular weight of 308.24 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
PubChem CID2436969
Molecular FormulaC14H10F2N2O4
Molecular Weight308.24 g/mol
Exact Mass308.06
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
SMILESO=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H10F2N2O4/c15-8-3-4-11(10(16)6-8)18-12(19)7-22-14(21)9-2-1-5-17-13(9)20/h1-6H,7H2,(H,17,20)(H,18,19)
InChIKeyLPBWAGBRFWJTDO-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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Related Compounds

[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2397406
[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2447912
bis[2-(2-fluoroanilino)-2-oxoethyl] (E)-but-2-enedioate
CID 6293464
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2439157
(2-anilino-2-oxoethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2100676
[2-(2-methylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2100887
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2363535
(2-Anilino-2-oxoethyl) 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 4854581
2-Oxo-2-(3,4,5-trifluoroanilino)ethyl-2-methylprop-2-enoate
CID 166611160
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2346545
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2352994
[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-4-morpholin-4-yl-4-oxobut-2-enoate
CID 2412140

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate (CID 2436969) is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is O=C(COC(=O)c1ccc[nH]c1=O)Nc1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is LPBWAGBRFWJTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O4/c15-8-3-4-11(10(16)6-8)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-(2,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate?
[2-(2,4-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-(2,4-difluoroanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 2436969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).