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

C11H5Cl3FNO — CID 133091303

IUPAC5-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1cc(-c2cc(Cl)c(Cl)cc2Cl)c(F)c[nH]1
InChIInChI=1S/C11H5Cl3FNO/c12-7-3-9(14)8(13)1-5(7)6-2-11(17)16-4-10(6)15/h1-4H,(H,16,17)
InChIKeyQLFHEPGEGSBZPG-UHFFFAOYSA-N
MW292.52 g/mol
LogP4.14
Rot. Bonds1

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

5-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-one (PubChem CID 133091303) has the molecular formula C11H5Cl3FNO and a molecular weight of 292.52 g/mol. Its IUPAC name is 5-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
PubChem CID133091303
Molecular FormulaC11H5Cl3FNO
Molecular Weight292.52 g/mol
Exact Mass290.94
IUPAC Name5-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1cc(-c2cc(Cl)c(Cl)cc2Cl)c(F)c[nH]1
InChIInChI=1S/C11H5Cl3FNO/c12-7-3-9(14)8(13)1-5(7)6-2-11(17)16-4-10(6)15/h1-4H,(H,16,17)
InChIKeyQLFHEPGEGSBZPG-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

4-(2,6-dichlorophenyl)-3-fluoro-1H-pyridin-2-one
CID 118801730
4-(2,4-dichlorophenyl)-3-fluoro-1H-pyridin-2-one
CID 118813024
4-(2,5-dichlorophenyl)-5-fluoro-1H-pyridin-2-one
CID 118813025
4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one
CID 118823789
6-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
CID 133091298
3-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
CID 133091299
3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
CID 133091300
3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one
CID 133091301
5-fluoro-3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
CID 133091302
6-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
CID 133091304
3-(2,4,5-trichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 133091408
3-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 133091409

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-one (CID 133091303) is 5-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-one is O=c1cc(-c2cc(Cl)c(Cl)cc2Cl)c(F)c[nH]1.
What is the InChIKey of 5-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-one?
The InChIKey is QLFHEPGEGSBZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3FNO/c12-7-3-9(14)8(13)1-5(7)6-2-11(17)16-4-10(6)15/h1-4H,(H,16,17).
What are the key properties of 5-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-one?
5-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-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 5-fluoro-4-(2,4,5-trichlorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 133091303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).