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

C12H5Cl3F3NO — CID 118844206

IUPAC3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(C(F)(F)F)c1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H5Cl3F3NO/c13-6-4-8(15)7(14)3-5(6)10-9(20)1-2-19-11(10)12(16,17)18/h1-4H,(H,19,20)
InChIKeySMWCSICHANQJRJ-UHFFFAOYSA-N
MW342.53 g/mol
LogP5.02
Rot. Bonds1

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

3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118844206) has the molecular formula C12H5Cl3F3NO and a molecular weight of 342.53 g/mol. Its IUPAC name is 3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID118844206
Molecular FormulaC12H5Cl3F3NO
Molecular Weight342.53 g/mol
Exact Mass340.94
IUPAC Name3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(C(F)(F)F)c1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H5Cl3F3NO/c13-6-4-8(15)7(14)3-5(6)10-9(20)1-2-19-11(10)12(16,17)18/h1-4H,(H,19,20)
InChIKeySMWCSICHANQJRJ-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

3-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 133092476
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091420
3-methoxy-2-(trifluoromethyl)-1H-pyridin-4-one
CID 69022654
2-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 118816068
2-oxo-3-(2,4,5-trichlorophenyl)-1H-pyridine-4-carbaldehyde
CID 133091384
3-(2,4,5-trichlorophenyl)-1H-pyridin-2-one
CID 133091398
5-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 133091414
2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133092470
4-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 133092866
3-fluoro-2-(trifluoromethyl)-1H-pyrrole
CID 175283071
3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 88671034
1,2,4-trichloro-5-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]benzene
CID 134631103

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one (CID 118844206) is 3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc[nH]c(C(F)(F)F)c1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is SMWCSICHANQJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F3NO/c13-6-4-8(15)7(14)3-5(6)10-9(20)1-2-19-11(10)12(16,17)18/h1-4H,(H,19,20).
What are the key properties of 3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one?
3-(2,4,5-trichlorophenyl)-2-(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 3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118844206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).