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

C12H7ClF3NO — CID 122358477

IUPAC5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(C(F)(F)F)cc2Cl)c[nH]1
InChIInChI=1S/C12H7ClF3NO/c13-10-5-8(12(14,15)16)2-3-9(10)7-1-4-11(18)17-6-7/h1-6H,(H,17,18)
InChIKeyGXXNSBXDRVZTJY-UHFFFAOYSA-N
MW273.64 g/mol
LogP3.71
Rot. Bonds1

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

5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one (PubChem CID 122358477) has the molecular formula C12H7ClF3NO and a molecular weight of 273.64 g/mol. Its IUPAC name is 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
PubChem CID122358477
Molecular FormulaC12H7ClF3NO
Molecular Weight273.64 g/mol
Exact Mass273.02
IUPAC Name5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(C(F)(F)F)cc2Cl)c[nH]1
InChIInChI=1S/C12H7ClF3NO/c13-10-5-8(12(14,15)16)2-3-9(10)7-1-4-11(18)17-6-7/h1-6H,(H,17,18)
InChIKeyGXXNSBXDRVZTJY-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

N-allyl-3-(2-chloro-6-fluorophenyl)acrylamide
CID 1744810
2-Hydroxy-5-(4-trifluoromethylphenyl)pyridine
CID 16640951
N-[(E)-3-(3-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide
CID 20389905
4-[2-chloro-4-(trifluoromethyl)phenyl]-3-nitro-1H-pyridin-2-one
CID 22052067
N-[3-(3-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide
CID 53888151
(E)-3-(3-chlorophenyl)-N-(2,2,2-trifluoroethyl)but-2-enamide
CID 67893784
(Z)-3-(3-chlorophenyl)-N-(2,2,2-trifluoroethyl)but-2-enamide
CID 67893785
3-(3-chlorophenyl)-N-(2,2,2-trifluoroethyl)but-2-enamide
CID 67893786
3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 70420044
5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 88670274
3-chloro-4-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one
CID 88670929
3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 88671034

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one (CID 122358477) is 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one is O=c1ccc(-c2ccc(C(F)(F)F)cc2Cl)c[nH]1.
What is the InChIKey of 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
The InChIKey is GXXNSBXDRVZTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO/c13-10-5-8(12(14,15)16)2-3-9(10)7-1-4-11(18)17-6-7/h1-6H,(H,17,18).
What are the key properties of 5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one?
5-[2-chloro-4-(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-[2-chloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 122358477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).