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

C10H4Cl2F2N2O2 — CID 107371242

IUPAC6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(F)c(=O)n1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H4Cl2F2N2O2/c11-4-1-5(13)3-6(2-4)16-9(17)7(14)8(12)15-10(16)18/h1-3H,(H,15,18)
InChIKeySAYPFFQCLCLCOJ-UHFFFAOYSA-N
MW293.06 g/mol
LogP2.11
Rot. Bonds1

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

6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 107371242) has the molecular formula C10H4Cl2F2N2O2 and a molecular weight of 293.06 g/mol. Its IUPAC name is 6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID107371242
Molecular FormulaC10H4Cl2F2N2O2
Molecular Weight293.06 g/mol
Exact Mass291.96
IUPAC Name6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(F)c(=O)n1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C10H4Cl2F2N2O2/c11-4-1-5(13)3-6(2-4)16-9(17)7(14)8(12)15-10(16)18/h1-3H,(H,15,18)
InChIKeySAYPFFQCLCLCOJ-UHFFFAOYSA-N
XLogP2.11
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 52.11
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
3-(4-bromo-2,6-dichlorophenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione
CID 113404461
4-(3-chloro-5-fluorophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 107370701
3-(1,3-benzothiazol-6-yl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione
CID 107802192
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione
CID 107581193
3-(3-chloro-5-fluorophenyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 107366909
2-(6-chloro-5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-6-fluorobenzonitrile
CID 113404497
6-chloro-3-(4-fluoro-3-methoxyphenyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 114841229
6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
CID 113404444
4-(3,5-dichlorophenyl)-1,2,4-triazolidine-3,5-dione
CID 18755009
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 107581190
3-(3-chloro-5-fluorophenyl)imidazolidine-2,4-dione
CID 107089493

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione (CID 107371242) is 6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione is O=c1[nH]c(Cl)c(F)c(=O)n1-c1cc(F)cc(Cl)c1.
What is the InChIKey of 6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is SAYPFFQCLCLCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F2N2O2/c11-4-1-5(13)3-6(2-4)16-9(17)7(14)8(12)15-10(16)18/h1-3H,(H,15,18).
What are the key properties of 6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione?
6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 293.06 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107371242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).