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

C12H5Cl3F3NO — CID 118833448

IUPAC2-(2,3,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(-c2cc(Cl)cc(Cl)c2Cl)[nH]cc1C(F)(F)F
InChIInChI=1S/C12H5Cl3F3NO/c13-5-1-6(11(15)8(14)2-5)9-3-10(20)7(4-19-9)12(16,17)18/h1-4H,(H,19,20)
InChIKeyVZOYIRBNKOMXNY-UHFFFAOYSA-N
MW342.53 g/mol
LogP5.02
Rot. Bonds1

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

2-(2,3,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118833448) has the molecular formula C12H5Cl3F3NO and a molecular weight of 342.53 g/mol. Its IUPAC name is 2-(2,3,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2,3,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID118833448
Molecular FormulaC12H5Cl3F3NO
Molecular Weight342.53 g/mol
Exact Mass340.94
IUPAC Name2-(2,3,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(-c2cc(Cl)cc(Cl)c2Cl)[nH]cc1C(F)(F)F
InChIInChI=1S/C12H5Cl3F3NO/c13-5-1-6(11(15)8(14)2-5)9-3-10(20)7(4-19-9)12(16,17)18/h1-4H,(H,19,20)
InChIKeyVZOYIRBNKOMXNY-UHFFFAOYSA-N
XLogP5.02
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 55.02
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

2-[2-chloro-3-(trifluoromethyl)phenyl]-1H-pyridin-4-one
CID 134565966
2-(3-Chloro-5-fluorophenyl)pyridin-4(1H)-one
CID 53229416
2-(3-Chloro-4-fluorophenyl)pyridin-4(1H)-one
CID 53229420
1-[(2,3,6-Trichlorophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 84313965
2-(2-chloro-4-fluorophenyl)-1H-pyridin-4-one
CID 106520964
2-(2-chloro-5-fluorophenyl)-1H-pyridin-4-one
CID 106523002
2-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 118802571
3-(2,3,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118804804
2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one
CID 118807944
2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 118808016
2-(2,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 118808068
2-(3,5-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one
CID 118808098

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(2,3,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one (CID 118833448) is 2-(2,3,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(2,3,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(2,3,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc(-c2cc(Cl)cc(Cl)c2Cl)[nH]cc1C(F)(F)F.
What is the InChIKey of 2-(2,3,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is VZOYIRBNKOMXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F3NO/c13-5-1-6(11(15)8(14)2-5)9-3-10(20)7(4-19-9)12(16,17)18/h1-4H,(H,19,20).
What are the key properties of 2-(2,3,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one?
2-(2,3,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 342.53 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118833448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).