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

C10H5F3N2O3 — CID 112598353

IUPAC1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(F)c(F)c2)c(O)c1F
InChIInChI=1S/C10H5F3N2O3/c11-5-2-1-4(3-6(5)12)15-9(17)7(13)8(16)14-10(15)18/h1-3,17H,(H,14,16,18)
InChIKeyJZADIURJBKDJDM-UHFFFAOYSA-N
MW258.15 g/mol
LogP0.65
Rot. Bonds1

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

1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 112598353) has the molecular formula C10H5F3N2O3 and a molecular weight of 258.15 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID112598353
Molecular FormulaC10H5F3N2O3
Molecular Weight258.15 g/mol
Exact Mass258.03
IUPAC Name1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(F)c(F)c2)c(O)c1F
InChIInChI=1S/C10H5F3N2O3/c11-5-2-1-4(3-6(5)12)15-9(17)7(13)8(16)14-10(15)18/h1-3,17H,(H,14,16,18)
InChIKeyJZADIURJBKDJDM-UHFFFAOYSA-N
XLogP0.65
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile
CID 112600343
5-fluoro-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598333
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599046
5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
CID 112599156
2-chloro-4-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile
CID 112599177
5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112601269
1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598991
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112599069
3-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile
CID 112598512
1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 107608492
1-(2,4-dibromophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599815

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 112598353) is 1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccc(F)c(F)c2)c(O)c1F.
What is the InChIKey of 1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is JZADIURJBKDJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O3/c11-5-2-1-4(3-6(5)12)15-9(17)7(13)8(16)14-10(15)18/h1-3,17H,(H,14,16,18).
What are the key properties of 1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 258.15 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112598353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).