6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one

C13H8BrClF3NO — CID 158085755

IUPAC6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one
SMILESO=c1c(Cl)ccc(-c2c(F)cccc2Br)n1CC(F)F
InChIInChI=1S/C13H8BrClF3NO/c14-7-2-1-3-9(16)12(7)10-5-4-8(15)13(20)19(10)6-11(17)18/h1-5,11H,6H2
InChIKeyPLHHNPPQMNRYLQ-UHFFFAOYSA-N
MW366.56 g/mol
LogP4.34
Rot. Bonds3

About 6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one

6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one (PubChem CID 158085755) has the molecular formula C13H8BrClF3NO and a molecular weight of 366.56 g/mol. Its IUPAC name is 6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one
PubChem CID158085755
Molecular FormulaC13H8BrClF3NO
Molecular Weight366.56 g/mol
Exact Mass364.94
IUPAC Name6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one
SMILESO=c1c(Cl)ccc(-c2c(F)cccc2Br)n1CC(F)F
InChIInChI=1S/C13H8BrClF3NO/c14-7-2-1-3-9(16)12(7)10-5-4-8(15)13(20)19(10)6-11(17)18/h1-5,11H,6H2
InChIKeyPLHHNPPQMNRYLQ-UHFFFAOYSA-N
XLogP4.34
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.56
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-bromo-6-fluorophenyl)-1-(2,2-difluoroethyl)-3-methylpyridin-2-one
CID 158676939
1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one
CID 160605392
3-bromo-6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one
CID 158796658
3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one
CID 142452813
5-chloro-2-(4-chloro-2-methylphenyl)-1-(2,2-difluoroethyl)-3H-pyridin-3-id-6-one;yttrium
CID 159462140
2-[2-(2-chloro-6-fluorophenyl)-5-methylpyrrol-1-yl]ethanol
CID 82088313
1-(2-bromo-6-fluorophenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114886632
1-bromo-3-fluoro-2-(2-fluorophenyl)benzene
CID 125457696
3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
CID 158124370
3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one
CID 146396991
4-chloro-1-(2,2-difluoroethyl)indole-2,3-dione
CID 61357943
1-bromo-2-(4-chloro-2-methylsulfanylphenyl)-3-fluorobenzene
CID 163240684

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one?
The IUPAC name of 6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one (CID 158085755) is 6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one.
What is the SMILES notation for 6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one?
The canonical SMILES for 6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one is O=c1c(Cl)ccc(-c2c(F)cccc2Br)n1CC(F)F.
What is the InChIKey of 6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one?
The InChIKey is PLHHNPPQMNRYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF3NO/c14-7-2-1-3-9(16)12(7)10-5-4-8(15)13(20)19(10)6-11(17)18/h1-5,11H,6H2.
What are the key properties of 6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one?
6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one has a molecular weight of 366.56 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one is sourced from PubChem (CID 158085755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).