5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one

C12H7ClF3NO — CID 122358482

IUPAC5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(Cl)cc2C(F)(F)F)c[nH]1
InChIInChI=1S/C12H7ClF3NO/c13-8-2-3-9(10(5-8)12(14,15)16)7-1-4-11(18)17-6-7/h1-6H,(H,17,18)
InChIKeySUOIDJXXJNWLCS-UHFFFAOYSA-N
MW273.64 g/mol
LogP3.71
Rot. Bonds1

About 5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one

5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 122358482) has the molecular formula C12H7ClF3NO and a molecular weight of 273.64 g/mol. Its IUPAC name is 5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID122358482
Molecular FormulaC12H7ClF3NO
Molecular Weight273.64 g/mol
Exact Mass273.02
IUPAC Name5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(Cl)cc2C(F)(F)F)c[nH]1
InChIInChI=1S/C12H7ClF3NO/c13-8-2-3-9(10(5-8)12(14,15)16)7-1-4-11(18)17-6-7/h1-6H,(H,17,18)
InChIKeySUOIDJXXJNWLCS-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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Related Compounds

5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 68524641
1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134627973
5-(2,5-difluorophenyl)-1H-pyridin-2-one
CID 53217701
1-[4-[4-chloro-2-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 168665303
4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene
CID 70978710
5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one
CID 162750794
4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 133092434
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one
CID 172849751
1-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 118822699
5-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxylic acid
CID 43671816
3-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111366
5-(4-fluoro-2-methoxyphenyl)-1H-pyridin-2-one
CID 122200254

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 122358482) is 5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one is O=c1ccc(-c2ccc(Cl)cc2C(F)(F)F)c[nH]1.
What is the InChIKey of 5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is SUOIDJXXJNWLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO/c13-8-2-3-9(10(5-8)12(14,15)16)7-1-4-11(18)17-6-7/h1-6H,(H,17,18).
What are the key properties of 5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-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-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 122358482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).