barium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride

C4H3BaFN2O2 — CID 175782399

IUPACbarium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride
SMILESO=c1[n-]c(=O)c(F)c[nH]1.[Ba+2].[H-]
InChIInChI=1S/C4H3FN2O2.Ba.H/c5-2-1-6-4(9)7-3(2)8;;/h1H,(H2,6,7,8,9);;/q;+2;-1/p-1
InChIKeyIPYGDHUAJKRKTJ-UHFFFAOYSA-M
MW267.41 g/mol
LogP-1.44
Rot. Bonds

About barium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride

barium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride (PubChem CID 175782399) has the molecular formula C4H3BaFN2O2 and a molecular weight of 267.41 g/mol. Its IUPAC name is barium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride.

Molecular Properties

Compound Namebarium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride
PubChem CID175782399
Molecular FormulaC4H3BaFN2O2
Molecular Weight267.41 g/mol
Exact Mass267.92
IUPAC Namebarium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride
SMILESO=c1[n-]c(=O)c(F)c[nH]1.[Ba+2].[H-]
InChIInChI=1S/C4H3FN2O2.Ba.H/c5-2-1-6-4(9)7-3(2)8;;/h1H,(H2,6,7,8,9);;/q;+2;-1/p-1
InChIKeyIPYGDHUAJKRKTJ-UHFFFAOYSA-M
XLogP-1.44
TPSA64.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of barium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride?
The IUPAC name of barium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride (CID 175782399) is barium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride.
What is the SMILES notation for barium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride?
The canonical SMILES for barium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride is O=c1[n-]c(=O)c(F)c[nH]1.[Ba+2].[H-].
What is the InChIKey of barium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride?
The InChIKey is IPYGDHUAJKRKTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3FN2O2.Ba.H/c5-2-1-6-4(9)7-3(2)8;;/h1H,(H2,6,7,8,9);;/q;+2;-1/p-1.
What are the key properties of barium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride?
barium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride has a molecular weight of 267.41 g/mol, XLogP of -1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);5-fluoro-1H-pyrimidin-3-ide-2,4-dione;hydride is sourced from PubChem (CID 175782399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).