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

C10H4BrCl2FN2O3 — CID 107795625

IUPAC1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(Br)c(Cl)c2Cl)c(O)c1F
InChIInChI=1S/C10H4BrCl2FN2O3/c11-3-1-2-4(6(13)5(3)12)16-9(18)7(14)8(17)15-10(16)19/h1-2,18H,(H,15,17,19)
InChIKeyPLZNIGOJHFXBEF-UHFFFAOYSA-N
MW369.96 g/mol
LogP2.44
Rot. Bonds1

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

1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 107795625) has the molecular formula C10H4BrCl2FN2O3 and a molecular weight of 369.96 g/mol. Its IUPAC name is 1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID107795625
Molecular FormulaC10H4BrCl2FN2O3
Molecular Weight369.96 g/mol
Exact Mass367.88
IUPAC Name1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(Br)c(Cl)c2Cl)c(O)c1F
InChIInChI=1S/C10H4BrCl2FN2O3/c11-3-1-2-4(6(13)5(3)12)16-9(18)7(14)8(17)15-10(16)19/h1-2,18H,(H,15,17,19)
InChIKeyPLZNIGOJHFXBEF-UHFFFAOYSA-N
XLogP2.44
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.96
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dibromophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599815
1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 107608492
1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600912
5-fluoro-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598333
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112599069
1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598353
1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599158
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
1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598991
1-(2,3-dimethylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598553
3-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-propyl-1H-pyrimidine-2,4-dione
CID 107795706

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 107795625) is 1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2ccc(Br)c(Cl)c2Cl)c(O)c1F.
What is the InChIKey of 1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is PLZNIGOJHFXBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrCl2FN2O3/c11-3-1-2-4(6(13)5(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-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 369.96 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 107795625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).