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

C10H4Cl3FN2O2 — CID 107581190

IUPAC6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1-c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C10H4Cl3FN2O2/c11-5-1-4(2-6(12)9(5)14)16-8(17)3-7(13)15-10(16)18/h1-3H,(H,15,18)
InChIKeyHYHOQZBPUHHXNH-UHFFFAOYSA-N
MW309.51 g/mol
LogP2.63
Rot. Bonds1

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

6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione (PubChem CID 107581190) has the molecular formula C10H4Cl3FN2O2 and a molecular weight of 309.51 g/mol. Its IUPAC name is 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione
PubChem CID107581190
Molecular FormulaC10H4Cl3FN2O2
Molecular Weight309.51 g/mol
Exact Mass307.93
IUPAC Name6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1-c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C10H4Cl3FN2O2/c11-5-1-4(2-6(12)9(5)14)16-8(17)3-7(13)15-10(16)18/h1-3H,(H,15,18)
InChIKeyHYHOQZBPUHHXNH-UHFFFAOYSA-N
XLogP2.63
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione
CID 107618042
6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione
CID 114250798
4-(3,5-dichloro-4-fluorophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 107579362
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione
CID 107581193
3-(1,3-benzothiazol-6-yl)-6-chloro-1H-pyrimidine-2,4-dione
CID 114002839
3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione
CID 103482061
3-(3,5-dichloro-4-iodophenyl)-6-propan-2-yl-1H-pyrimidine-2,4-dione
CID 134093607
6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 113404586
3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 134115598
3-(3,5-dichloro-4-fluorophenyl)-5,7-difluoro-1H-benzimidazole-2-thione
CID 107575814
6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione
CID 10620646
4-amino-5-(3-chloro-4,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328079

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione (CID 107581190) is 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione is O=c1cc(Cl)[nH]c(=O)n1-c1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is HYHOQZBPUHHXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl3FN2O2/c11-5-1-4(2-6(12)9(5)14)16-8(17)3-7(13)15-10(16)18/h1-3H,(H,15,18).
What are the key properties of 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione?
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 309.51 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107581190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).