5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one

C13H4Cl2F7NO — CID 88670274

IUPAC5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)c(C(F)(F)F)c1-c1c(F)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H4Cl2F7NO/c14-5-1-4(12(17,18)19)2-7(16)8(5)9-10(13(20,21)22)6(15)3-23-11(9)24/h1-3H,(H,23,24)
InChIKeyNOLGWILEMQTKMQ-UHFFFAOYSA-N
MW394.07 g/mol
LogP5.53
Rot. Bonds1

About 5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one

5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 88670274) has the molecular formula C13H4Cl2F7NO and a molecular weight of 394.07 g/mol. Its IUPAC name is 5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID88670274
Molecular FormulaC13H4Cl2F7NO
Molecular Weight394.07 g/mol
Exact Mass392.96
IUPAC Name5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)c(C(F)(F)F)c1-c1c(F)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H4Cl2F7NO/c14-5-1-4(12(17,18)19)2-7(16)8(5)9-10(13(20,21)22)6(15)3-23-11(9)24/h1-3H,(H,23,24)
InChIKeyNOLGWILEMQTKMQ-UHFFFAOYSA-N
XLogP5.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.07
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-Chloro-4-methylphenyl)-2-hydroxypyridine
CID 53217839
2-chloro-N-methyl-4-(3,3,3-trifluoroprop-1-en-2-yl)benzamide
CID 176431718
4-(2,6-dichlorophenyl)-8-(2,4-difluorophenyl)-2H-isoquinolin-3-one
CID 9887328
3-(3-Chloro-4-fluorophenyl)pyridin-2(1H)-one
CID 53217885
3-chloro-N-methyl-4-(trifluoromethyl)benzamide
CID 53787987
2-(3-chloro-4-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 68279831
3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 70420044
5-chloro-3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 88670225
5-bromo-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 88670345
5-chloro-3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 88670687
3-chloro-4-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyridin-2-one
CID 88670929
3-[2,6-difluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 88670940

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one (CID 88670274) is 5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(Cl)c(C(F)(F)F)c1-c1c(F)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is NOLGWILEMQTKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H4Cl2F7NO/c14-5-1-4(12(17,18)19)2-7(16)8(5)9-10(13(20,21)22)6(15)3-23-11(9)24/h1-3H,(H,23,24).
What are the key properties of 5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 394.07 g/mol, XLogP of 5.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 88670274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).