5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one

C12H7ClF3NO — CID 66485737

IUPAC5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]cc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H7ClF3NO/c13-8-3-1-7(2-4-8)9-6-17-11(5-10(9)18)12(14,15)16/h1-6H,(H,17,18)
InChIKeyQRIJTKYEQFAVQS-UHFFFAOYSA-N
MW273.64 g/mol
LogP3.71
Rot. Bonds1

About 5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one

5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 66485737) has the molecular formula C12H7ClF3NO and a molecular weight of 273.64 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID66485737
Molecular FormulaC12H7ClF3NO
Molecular Weight273.64 g/mol
Exact Mass273.02
IUPAC Name5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc(C(F)(F)F)[nH]cc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H7ClF3NO/c13-8-3-1-7(2-4-8)9-6-17-11(5-10(9)18)12(14,15)16/h1-6H,(H,17,18)
InChIKeyQRIJTKYEQFAVQS-UHFFFAOYSA-N
XLogP3.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.64
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one (CID 66485737) is 5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc(C(F)(F)F)[nH]cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is QRIJTKYEQFAVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO/c13-8-3-1-7(2-4-8)9-6-17-11(5-10(9)18)12(14,15)16/h1-6H,(H,17,18).
What are the key properties of 5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one?
5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 273.64 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 66485737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).