3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C11H5BrF4N2O3 — CID 11810737

IUPAC3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C(F)(F)F)[nH]c(=O)n1-c1cc(O)c(Br)cc1F
InChIInChI=1S/C11H5BrF4N2O3/c12-4-1-5(13)6(2-7(4)19)18-9(20)3-8(11(14,15)16)17-10(18)21/h1-3,19H,(H,17,21)
InChIKeyJKIUARJTUZHODI-UHFFFAOYSA-N
MW369.07 g/mol
LogP2.15
Rot. Bonds1

About 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 11810737) has the molecular formula C11H5BrF4N2O3 and a molecular weight of 369.07 g/mol. Its IUPAC name is 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID11810737
Molecular FormulaC11H5BrF4N2O3
Molecular Weight369.07 g/mol
Exact Mass367.94
IUPAC Name3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C(F)(F)F)[nH]c(=O)n1-c1cc(O)c(Br)cc1F
InChIInChI=1S/C11H5BrF4N2O3/c12-4-1-5(13)6(2-7(4)19)18-9(20)3-8(11(14,15)16)17-10(18)21/h1-3,19H,(H,17,21)
InChIKeyJKIUARJTUZHODI-UHFFFAOYSA-N
XLogP2.15
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.07
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 11810737) is 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1cc(O)c(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is JKIUARJTUZHODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF4N2O3/c12-4-1-5(13)6(2-7(4)19)18-9(20)3-8(11(14,15)16)17-10(18)21/h1-3,19H,(H,17,21).
What are the key properties of 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 369.07 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluoro-5-hydroxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11810737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).