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

C14H11BrF3NO — CID 158676939

IUPAC6-(2-bromo-6-fluorophenyl)-1-(2,2-difluoroethyl)-3-methylpyridin-2-one
SMILESCc1ccc(-c2c(F)cccc2Br)n(CC(F)F)c1=O
InChIInChI=1S/C14H11BrF3NO/c1-8-5-6-11(19(14(8)20)7-12(17)18)13-9(15)3-2-4-10(13)16/h2-6,12H,7H2,1H3
InChIKeyNVCXUJNRFPUGRS-UHFFFAOYSA-N
MW346.15 g/mol
LogP3.99
Rot. Bonds3

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

6-(2-bromo-6-fluorophenyl)-1-(2,2-difluoroethyl)-3-methylpyridin-2-one (PubChem CID 158676939) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is 6-(2-bromo-6-fluorophenyl)-1-(2,2-difluoroethyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Name6-(2-bromo-6-fluorophenyl)-1-(2,2-difluoroethyl)-3-methylpyridin-2-one
PubChem CID158676939
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name6-(2-bromo-6-fluorophenyl)-1-(2,2-difluoroethyl)-3-methylpyridin-2-one
SMILESCc1ccc(-c2c(F)cccc2Br)n(CC(F)F)c1=O
InChIInChI=1S/C14H11BrF3NO/c1-8-5-6-11(19(14(8)20)7-12(17)18)13-9(15)3-2-4-10(13)16/h2-6,12H,7H2,1H3
InChIKeyNVCXUJNRFPUGRS-UHFFFAOYSA-N
XLogP3.99
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-bromo-6-fluorophenyl)-3-chloro-1-(2,2-difluoroethyl)pyridin-2-one
CID 158085755
1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one
CID 160605392
3-bromo-1-(2,2-difluoroethyl)-6-[4-(methoxymethoxy)-2-methylphenyl]pyridin-2-one
CID 158395133
1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one
CID 161221111
6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one
CID 159368712
3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
CID 158124370
3-bromo-6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one
CID 158796658
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190
1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene
CID 146407762
6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one
CID 160955775
5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde
CID 151827830
1-(2-bromo-6-fluorophenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 114559956

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-6-fluorophenyl)-1-(2,2-difluoroethyl)-3-methylpyridin-2-one?
The IUPAC name of 6-(2-bromo-6-fluorophenyl)-1-(2,2-difluoroethyl)-3-methylpyridin-2-one (CID 158676939) is 6-(2-bromo-6-fluorophenyl)-1-(2,2-difluoroethyl)-3-methylpyridin-2-one.
What is the SMILES notation for 6-(2-bromo-6-fluorophenyl)-1-(2,2-difluoroethyl)-3-methylpyridin-2-one?
The canonical SMILES for 6-(2-bromo-6-fluorophenyl)-1-(2,2-difluoroethyl)-3-methylpyridin-2-one is Cc1ccc(-c2c(F)cccc2Br)n(CC(F)F)c1=O.
What is the InChIKey of 6-(2-bromo-6-fluorophenyl)-1-(2,2-difluoroethyl)-3-methylpyridin-2-one?
The InChIKey is NVCXUJNRFPUGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c1-8-5-6-11(19(14(8)20)7-12(17)18)13-9(15)3-2-4-10(13)16/h2-6,12H,7H2,1H3.
What are the key properties of 6-(2-bromo-6-fluorophenyl)-1-(2,2-difluoroethyl)-3-methylpyridin-2-one?
6-(2-bromo-6-fluorophenyl)-1-(2,2-difluoroethyl)-3-methylpyridin-2-one has a molecular weight of 346.15 g/mol, XLogP of 3.99, 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)-1-(2,2-difluoroethyl)-3-methylpyridin-2-one is sourced from PubChem (CID 158676939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).