5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione

C10H4Cl3FN2O3 — CID 112599156

IUPAC5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2c(Cl)cc(Cl)cc2Cl)c(O)c1F
InChIInChI=1S/C10H4Cl3FN2O3/c11-3-1-4(12)7(5(13)2-3)16-9(18)6(14)8(17)15-10(16)19/h1-2,18H,(H,15,17,19)
InChIKeyKYQBIDYJJISVKF-UHFFFAOYSA-N
MW325.51 g/mol
LogP2.33
Rot. Bonds1

About 5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione (PubChem CID 112599156) has the molecular formula C10H4Cl3FN2O3 and a molecular weight of 325.51 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
PubChem CID112599156
Molecular FormulaC10H4Cl3FN2O3
Molecular Weight325.51 g/mol
Exact Mass323.93
IUPAC Name5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2c(Cl)cc(Cl)cc2Cl)c(O)c1F
InChIInChI=1S/C10H4Cl3FN2O3/c11-3-1-4(12)7(5(13)2-3)16-9(18)6(14)8(17)15-10(16)19/h1-2,18H,(H,15,17,19)
InChIKeyKYQBIDYJJISVKF-UHFFFAOYSA-N
XLogP2.33
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.51
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione (CID 112599156) is 5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(-c2c(Cl)cc(Cl)cc2Cl)c(O)c1F.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione?
The InChIKey is KYQBIDYJJISVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl3FN2O3/c11-3-1-4(12)7(5(13)2-3)16-9(18)6(14)8(17)15-10(16)19/h1-2,18H,(H,15,17,19).
What are the key properties of 5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione has a molecular weight of 325.51 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112599156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).