3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione

C10H3BrCl3FN2O2 — CID 113404461

IUPAC3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(F)c(=O)n1-c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H3BrCl3FN2O2/c11-3-1-4(12)7(5(13)2-3)17-9(18)6(15)8(14)16-10(17)19/h1-2H,(H,16,19)
InChIKeyWBXFPIJLVHOTRI-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.39
Rot. Bonds1

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

3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 113404461) has the molecular formula C10H3BrCl3FN2O2 and a molecular weight of 388.41 g/mol. Its IUPAC name is 3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID113404461
Molecular FormulaC10H3BrCl3FN2O2
Molecular Weight388.41 g/mol
Exact Mass385.84
IUPAC Name3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(F)c(=O)n1-c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H3BrCl3FN2O2/c11-3-1-4(12)7(5(13)2-3)17-9(18)6(15)8(14)16-10(17)19/h1-2H,(H,16,19)
InChIKeyWBXFPIJLVHOTRI-UHFFFAOYSA-N
XLogP3.39
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-fluoro-3-(2,4,5-trichlorophenyl)-1H-pyrimidine-2,4-dione
CID 113404427
6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione
CID 107371242
5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
CID 112599156
3-(1,3-benzothiazol-6-yl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione
CID 107802192
2-(6-chloro-5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-6-fluorobenzonitrile
CID 113404497
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione
CID 107581193
6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
CID 113404444
6-hydroxy-5-methyl-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
CID 112599157
6-chloro-5-fluoro-3-[2-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
CID 113404659
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 107581190
4-(2,6-dichloro-4-fluorophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 83082070
6-bromo-8-chloro-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114589056

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione (CID 113404461) is 3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione is O=c1[nH]c(Cl)c(F)c(=O)n1-c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is WBXFPIJLVHOTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrCl3FN2O2/c11-3-1-4(12)7(5(13)2-3)17-9(18)6(15)8(14)16-10(17)19/h1-2H,(H,16,19).
What are the key properties of 3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione?
3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 388.41 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).