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

C5H2FLiN2O4 — CID 23694162

IUPAClithium 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C([O-])c1[nH]c(=O)[nH]c(=O)c1F.[Li+]
InChIInChI=1S/C5H3FN2O4.Li/c6-1-2(4(10)11)7-5(12)8-3(1)9;/h(H,10,11)(H2,7,8,9,12);/q;+1/p-1
InChIKeyNRKAYBZPXSCHCF-UHFFFAOYSA-M
MW180.02 g/mol
LogP-5.43
Rot. Bonds1

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

lithium 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 23694162) has the molecular formula C5H2FLiN2O4 and a molecular weight of 180.02 g/mol. Its IUPAC name is lithium 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Namelithium 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID23694162
Molecular FormulaC5H2FLiN2O4
Molecular Weight180.02 g/mol
Exact Mass180.02
IUPAC Namelithium 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C([O-])c1[nH]c(=O)[nH]c(=O)c1F.[Li+]
InChIInChI=1S/C5H3FN2O4.Li/c6-1-2(4(10)11)7-5(12)8-3(1)9;/h(H,10,11)(H2,7,8,9,12);/q;+1/p-1
InChIKeyNRKAYBZPXSCHCF-UHFFFAOYSA-M
XLogP-5.43
TPSA105.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.02
LogP ≤ 5-5.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of lithium 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 23694162) is lithium 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for lithium 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for lithium 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate is O=C([O-])c1[nH]c(=O)[nH]c(=O)c1F.[Li+].
What is the InChIKey of lithium 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is NRKAYBZPXSCHCF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H3FN2O4.Li/c6-1-2(4(10)11)7-5(12)8-3(1)9;/h(H,10,11)(H2,7,8,9,12);/q;+1/p-1.
What are the key properties of lithium 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate?
lithium 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 180.02 g/mol, XLogP of -5.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 23694162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).