6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one

C15H14BrF2NO2S — CID 160955775

IUPAC6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one
SMILESCSCOc1ccc(-c2cccc(=O)n2CC(F)F)c(Br)c1
InChIInChI=1S/C15H14BrF2NO2S/c1-22-9-21-10-5-6-11(12(16)7-10)13-3-2-4-15(20)19(13)8-14(17)18/h2-7,14H,8-9H2,1H3
InChIKeyRIJPWOSDHRSFFP-UHFFFAOYSA-N
MW390.25 g/mol
LogP4.24
Rot. Bonds6

About 6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one

6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one (PubChem CID 160955775) has the molecular formula C15H14BrF2NO2S and a molecular weight of 390.25 g/mol. Its IUPAC name is 6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one
PubChem CID160955775
Molecular FormulaC15H14BrF2NO2S
Molecular Weight390.25 g/mol
Exact Mass388.99
IUPAC Name6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one
SMILESCSCOc1ccc(-c2cccc(=O)n2CC(F)F)c(Br)c1
InChIInChI=1S/C15H14BrF2NO2S/c1-22-9-21-10-5-6-11(12(16)7-10)13-3-2-4-15(20)19(13)8-14(17)18/h2-7,14H,8-9H2,1H3
InChIKeyRIJPWOSDHRSFFP-UHFFFAOYSA-N
XLogP4.24
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.25
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-bromo-6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one
CID 158796658
3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
CID 158124370
6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one
CID 148519544
6-(2-bromo-4-methoxyphenyl)-1-ethylpyridin-2-one
CID 160728651
3-bromo-6-(2-bromo-4-but-2-ynoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
CID 148869739
6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one
CID 159368712
2-[3-bromo-4-[1-(2,2-difluoroethyl)-6-oxo-3H-pyridin-3-id-2-yl]phenoxy]acetonitrile;yttrium
CID 162035495
3-bromo-1-(2,2-difluoroethyl)-6-[4-(methoxymethoxy)-2-methylphenyl]pyridin-2-one
CID 158395133
2-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-(2,2-difluoroethyl)-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160800626
3-bromo-1-(2,2-difluoroethyl)-6-[2-methyl-4-(methylsulfanylmethoxy)phenyl]-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451132
1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one
CID 161221111
6-(2-bromo-6-fluorophenyl)-1-(2,2-difluoroethyl)-3-methylpyridin-2-one
CID 158676939

Frequently Asked Questions

What is the IUPAC name of 6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one?
The IUPAC name of 6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one (CID 160955775) is 6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one.
What is the SMILES notation for 6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one?
The canonical SMILES for 6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one is CSCOc1ccc(-c2cccc(=O)n2CC(F)F)c(Br)c1.
What is the InChIKey of 6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one?
The InChIKey is RIJPWOSDHRSFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO2S/c1-22-9-21-10-5-6-11(12(16)7-10)13-3-2-4-15(20)19(13)8-14(17)18/h2-7,14H,8-9H2,1H3.
What are the key properties of 6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one?
6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one has a molecular weight of 390.25 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one is sourced from PubChem (CID 160955775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).