3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one

C11H5Cl3FNO — CID 133091301

IUPAC3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]cc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H5Cl3FNO/c12-7-2-9(14)8(13)1-5(7)6-3-16-4-10(15)11(6)17/h1-4H,(H,16,17)
InChIKeyFSLPVWIIRJVRCL-UHFFFAOYSA-N
MW292.52 g/mol
LogP4.14
Rot. Bonds1

About 3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one

3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one (PubChem CID 133091301) has the molecular formula C11H5Cl3FNO and a molecular weight of 292.52 g/mol. Its IUPAC name is 3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one
PubChem CID133091301
Molecular FormulaC11H5Cl3FNO
Molecular Weight292.52 g/mol
Exact Mass290.94
IUPAC Name3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]cc1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H5Cl3FNO/c12-7-2-9(14)8(13)1-5(7)6-3-16-4-10(15)11(6)17/h1-4H,(H,16,17)
InChIKeyFSLPVWIIRJVRCL-UHFFFAOYSA-N
XLogP4.14
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(2,3,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118804804
3-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118804928
3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118844206
3-(2,6-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
CID 130088575
3-(3,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
CID 130088618
3-(3,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
CID 130088645
3-(2,3-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
CID 130088679
3-(2,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
CID 130088712
3-(2,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
CID 130088750
3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
CID 133091300
5-fluoro-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
CID 133091302
5-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
CID 133091303

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one?
The IUPAC name of 3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one (CID 133091301) is 3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one?
The canonical SMILES for 3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one is O=c1c(F)c[nH]cc1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one?
The InChIKey is FSLPVWIIRJVRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3FNO/c12-7-2-9(14)8(13)1-5(7)6-3-16-4-10(15)11(6)17/h1-4H,(H,16,17).
What are the key properties of 3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one?
3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one has a molecular weight of 292.52 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one is sourced from PubChem (CID 133091301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).