[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate

C13H10FN3O5 — CID 2447912

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESO=C(COC(=O)c1c[nH]c(=O)[nH]c1=O)Nc1ccccc1F
InChIInChI=1S/C13H10FN3O5/c14-8-3-1-2-4-9(8)16-10(18)6-22-12(20)7-5-15-13(21)17-11(7)19/h1-5H,6H2,(H,16,18)(H2,15,17,19,21)
InChIKeyZESOJPGBVTZZKZ-UHFFFAOYSA-N
MW307.24 g/mol
LogP-0.00
Rot. Bonds4

About [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate

[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate (PubChem CID 2447912) has the molecular formula C13H10FN3O5 and a molecular weight of 307.24 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
PubChem CID2447912
Molecular FormulaC13H10FN3O5
Molecular Weight307.24 g/mol
Exact Mass307.06
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESO=C(COC(=O)c1c[nH]c(=O)[nH]c1=O)Nc1ccccc1F
InChIInChI=1S/C13H10FN3O5/c14-8-3-1-2-4-9(8)16-10(18)6-22-12(20)7-5-15-13(21)17-11(7)19/h1-5H,6H2,(H,16,18)(H2,15,17,19,21)
InChIKeyZESOJPGBVTZZKZ-UHFFFAOYSA-N
XLogP-0.00
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate (CID 2447912) is [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate is O=C(COC(=O)c1c[nH]c(=O)[nH]c1=O)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The InChIKey is ZESOJPGBVTZZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O5/c14-8-3-1-2-4-9(8)16-10(18)6-22-12(20)7-5-15-13(21)17-11(7)19/h1-5H,6H2,(H,16,18)(H2,15,17,19,21).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate?
[2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate has a molecular weight of 307.24 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2447912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).