5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate

C5H2FN2O4- — CID 6993751

IUPAC5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C([O-])c1[nH]c(=O)[nH]c(=O)c1F
InChIInChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)/p-1
InChIKeySEHFUALWMUWDKS-UHFFFAOYSA-M
MW173.08 g/mol
LogP-2.43
Rot. Bonds1

About 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate

5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 6993751) has the molecular formula C5H2FN2O4- and a molecular weight of 173.08 g/mol. Its IUPAC name is 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Name5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID6993751
Molecular FormulaC5H2FN2O4-
Molecular Weight173.08 g/mol
Exact Mass173.00
IUPAC Name5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C([O-])c1[nH]c(=O)[nH]c(=O)c1F
InChIInChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)/p-1
InChIKeySEHFUALWMUWDKS-UHFFFAOYSA-M
XLogP-2.43
TPSA105.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.08
LogP ≤ 5-2.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 6993751) is 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate is O=C([O-])c1[nH]c(=O)[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is SEHFUALWMUWDKS-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)/p-1.
What are the key properties of 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate?
5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 173.08 g/mol, XLogP of -2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 6993751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).