1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione

C11H7FN2O5 — CID 112599046

IUPAC1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc3c(c2)OCO3)c(O)c1F
InChIInChI=1S/C11H7FN2O5/c12-8-9(15)13-11(17)14(10(8)16)5-1-2-6-7(3-5)19-4-18-6/h1-3,16H,4H2,(H,13,15,17)
InChIKeyCJXGUFNHJHCIFB-UHFFFAOYSA-N
MW266.18 g/mol
LogP0.10
Rot. Bonds1

About 1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione

1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 112599046) has the molecular formula C11H7FN2O5 and a molecular weight of 266.18 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID112599046
Molecular FormulaC11H7FN2O5
Molecular Weight266.18 g/mol
Exact Mass266.03
IUPAC Name1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc3c(c2)OCO3)c(O)c1F
InChIInChI=1S/C11H7FN2O5/c12-8-9(15)13-11(17)14(10(8)16)5-1-2-6-7(3-5)19-4-18-6/h1-3,16H,4H2,(H,13,15,17)
InChIKeyCJXGUFNHJHCIFB-UHFFFAOYSA-N
XLogP0.10
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946521
3-(1,3-benzodioxol-5-yl)-6-sulfanylidene-1,3,5-triazinane-2,4-dione
CID 155805022
1-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135420650
1-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 1142765
1-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[(E)-(2-methylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 135467576
5-fluoro-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598333
1-(1,3-benzodioxol-5-yl)-3,4-dihydroxypyrrole-2,5-dicarboxylic acid
CID 174733741
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile
CID 112600343
1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 107608492
5-acetyl-3-(1,3-benzodioxol-5-yl)-1H-pyrimidine-2,4-dione
CID 80643686
1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598991

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 112599046) is 1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccc3c(c2)OCO3)c(O)c1F.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is CJXGUFNHJHCIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O5/c12-8-9(15)13-11(17)14(10(8)16)5-1-2-6-7(3-5)19-4-18-6/h1-3,16H,4H2,(H,13,15,17).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 266.18 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112599046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).