2-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one

C12H5Cl3F3NO — CID 118821699

IUPAC2-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(-c2cc(Cl)c(Cl)cc2Cl)[nH]c(C(F)(F)F)c1
InChIInChI=1S/C12H5Cl3F3NO/c13-7-4-9(15)8(14)3-6(7)10-1-5(20)2-11(19-10)12(16,17)18/h1-4H,(H,19,20)
InChIKeyCJMQVQHGXCUHBR-UHFFFAOYSA-N
MW342.53 g/mol
LogP5.02
Rot. Bonds1

About 2-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one

2-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 118821699) has the molecular formula C12H5Cl3F3NO and a molecular weight of 342.53 g/mol. Its IUPAC name is 2-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID118821699
Molecular FormulaC12H5Cl3F3NO
Molecular Weight342.53 g/mol
Exact Mass340.94
IUPAC Name2-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(-c2cc(Cl)c(Cl)cc2Cl)[nH]c(C(F)(F)F)c1
InChIInChI=1S/C12H5Cl3F3NO/c13-7-4-9(15)8(14)3-6(7)10-1-5(20)2-11(19-10)12(16,17)18/h1-4H,(H,19,20)
InChIKeyCJMQVQHGXCUHBR-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

6-(2,3-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106514041
6-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106514883
6-(3,4-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106516325
6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517957
2-(3,4-dichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 118802571
2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118810386
2-(2,3-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118813694
2-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one
CID 118813841
2-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 118816068
2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one
CID 118816522
2-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118819370
2-(2,3,4-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-4-one
CID 118821826

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one (CID 118821699) is 2-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc(-c2cc(Cl)c(Cl)cc2Cl)[nH]c(C(F)(F)F)c1.
What is the InChIKey of 2-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is CJMQVQHGXCUHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3F3NO/c13-7-4-9(15)8(14)3-6(7)10-1-5(20)2-11(19-10)12(16,17)18/h1-4H,(H,19,20).
What are the key properties of 2-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one?
2-(2,4,5-trichlorophenyl)-6-(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-(2,4,5-trichlorophenyl)-6-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 118821699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).