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

C10H4BrF3N2O3 — CID 107608492

IUPAC1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cc(F)c(Br)cc2F)c(O)c1F
InChIInChI=1S/C10H4BrF3N2O3/c11-3-1-5(13)6(2-4(3)12)16-9(18)7(14)8(17)15-10(16)19/h1-2,18H,(H,15,17,19)
InChIKeyLGWAQLFIJJATAY-UHFFFAOYSA-N
MW337.05 g/mol
LogP1.41
Rot. Bonds1

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

1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 107608492) has the molecular formula C10H4BrF3N2O3 and a molecular weight of 337.05 g/mol. Its IUPAC name is 1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID107608492
Molecular FormulaC10H4BrF3N2O3
Molecular Weight337.05 g/mol
Exact Mass335.94
IUPAC Name1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cc(F)c(Br)cc2F)c(O)c1F
InChIInChI=1S/C10H4BrF3N2O3/c11-3-1-5(13)6(2-4(3)12)16-9(18)7(14)8(17)15-10(16)19/h1-2,18H,(H,15,17,19)
InChIKeyLGWAQLFIJJATAY-UHFFFAOYSA-N
XLogP1.41
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.05
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dibromophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599815
1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600912
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112599069
5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112601269
5-fluoro-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598333
1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 107795625
1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599158
1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598353
5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione
CID 115947928
1-(1,3-benzodioxol-5-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599046
1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598971
6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione
CID 112600489

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 107608492) is 1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2cc(F)c(Br)cc2F)c(O)c1F.
What is the InChIKey of 1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is LGWAQLFIJJATAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrF3N2O3/c11-3-1-5(13)6(2-4(3)12)16-9(18)7(14)8(17)15-10(16)19/h1-2,18H,(H,15,17,19).
What are the key properties of 1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 337.05 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 107608492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).