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

C13H3Cl3F7NO — CID 88671086

IUPAC3,5-dichloro-6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(-c2c(F)cc(C(F)(F)F)cc2Cl)c(Cl)c(C(F)(F)F)c1Cl
InChIInChI=1S/C13H3Cl3F7NO/c14-4-1-3(12(18,19)20)2-5(17)6(4)10-8(15)7(13(21,22)23)9(16)11(25)24-10/h1-2H,(H,24,25)
InChIKeyVOYOMDAJGTUCRT-UHFFFAOYSA-N
MW428.52 g/mol
LogP6.18
Rot. Bonds1

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

3,5-dichloro-6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 88671086) has the molecular formula C13H3Cl3F7NO and a molecular weight of 428.52 g/mol. Its IUPAC name is 3,5-dichloro-6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID88671086
Molecular FormulaC13H3Cl3F7NO
Molecular Weight428.52 g/mol
Exact Mass426.92
IUPAC Name3,5-dichloro-6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(-c2c(F)cc(C(F)(F)F)cc2Cl)c(Cl)c(C(F)(F)F)c1Cl
InChIInChI=1S/C13H3Cl3F7NO/c14-4-1-3(12(18,19)20)2-5(17)6(4)10-8(15)7(13(21,22)23)9(16)11(25)24-10/h1-2H,(H,24,25)
InChIKeyVOYOMDAJGTUCRT-UHFFFAOYSA-N
XLogP6.18
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dichloro-6-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 88670439
6-(3-Chloro-5-fluorophenyl)pyridin-2(1H)-one
CID 53217883
6-(3-Chloro-4-fluorophenyl)pyridin-2(1H)-one
CID 53217889
6-(2-chloro-4-fluorophenyl)-1H-pyridin-2-one
CID 103695259
6-(2-chloro-5-fluorophenyl)-1H-pyridin-2-one
CID 103695261
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-(2-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515447
6-(3-chlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515591
6-(2,4-dichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106517957
6-(4-chloro-2-fluorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106519985
6-(3-chloro-4-methylphenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106520370

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3,5-dichloro-6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one (CID 88671086) is 3,5-dichloro-6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dichloro-6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3,5-dichloro-6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(-c2c(F)cc(C(F)(F)F)cc2Cl)c(Cl)c(C(F)(F)F)c1Cl.
What is the InChIKey of 3,5-dichloro-6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is VOYOMDAJGTUCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H3Cl3F7NO/c14-4-1-3(12(18,19)20)2-5(17)6(4)10-8(15)7(13(21,22)23)9(16)11(25)24-10/h1-2H,(H,24,25).
What are the key properties of 3,5-dichloro-6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
3,5-dichloro-6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 428.52 g/mol, XLogP of 6.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 88671086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).