3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C12H7ClF4N2O3 — CID 11267757

IUPAC3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2cc(O)c(Cl)cc2F)c1=O
InChIInChI=1S/C12H7ClF4N2O3/c1-18-9(12(15,16)17)4-10(21)19(11(18)22)7-3-8(20)5(13)2-6(7)14/h2-4,20H,1H3
InChIKeyMCGXGTQNPFLTOY-UHFFFAOYSA-N
MW338.64 g/mol
LogP2.05
Rot. Bonds1

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

3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 11267757) has the molecular formula C12H7ClF4N2O3 and a molecular weight of 338.64 g/mol. Its IUPAC name is 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID11267757
Molecular FormulaC12H7ClF4N2O3
Molecular Weight338.64 g/mol
Exact Mass338.01
IUPAC Name3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2cc(O)c(Cl)cc2F)c1=O
InChIInChI=1S/C12H7ClF4N2O3/c1-18-9(12(15,16)17)4-10(21)19(11(18)22)7-3-8(20)5(13)2-6(7)14/h2-4,20H,1H3
InChIKeyMCGXGTQNPFLTOY-UHFFFAOYSA-N
XLogP2.05
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.64
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 14276957
2,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-5-ethoxy-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)-
CID 135398
2,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-2-fluoro-5-((methylthio)methoxy)phenyl)-1-methyl-6-(trifluoromethyl)-
CID 135399
3-[4-Chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 11326821
2-[2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]acetonitrile
CID 11567029
1-methyl-6-trifluoromethyl-3-(6-amino4-chloro-2-fluoro-5-hydroxyphenyl)-2,4(1H,3H)-pyrimidinedione
CID 12056912
3-(4-Chloro-2-fluoro-5-hydroxyphenyl)-5-propan-2-ylideneimidazolidine-2,4-dione
CID 14370826
3-(4-Chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-5-propan-2-ylideneimidazolidine-2,4-dione
CID 14551385
1-(4-chloro-2-fluoro-5-hydroxyphenyl)-1,4-dihydro-4-(3-fluoropropyl)-5H-tetrazol-5-one
CID 14774834
1-(2-Allyl-4-chloro-3-hydroxyphenyl)-3-methyl-4-trifluoromethyl-1,2,3,6-tetrahydropyrimidine-2,6,-dione
CID 15278457
1-[4-Chloro-6-fluoro-3-hydroxy-2-(2-methyl-2-propenyl)phenyl]-3-methyl-4-trifluoromethyl-1,2,3,6-tetrahydropyrimidine-2,6-dione
CID 15279945
2-(4-chloro-2-fluoro-5-hydroxyphenyl)-5,6-dihydroimidazo [1,5-a] pyridine-1,3[2H, 7H]-dione
CID 15390589

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 11267757) is 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(-c2cc(O)c(Cl)cc2F)c1=O.
What is the InChIKey of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is MCGXGTQNPFLTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF4N2O3/c1-18-9(12(15,16)17)4-10(21)19(11(18)22)7-3-8(20)5(13)2-6(7)14/h2-4,20H,1H3.
What are the key properties of 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 338.64 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluoro-5-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11267757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).