3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one

C15H13Br2F2NO2 — CID 158124370

IUPAC3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
SMILESCCOc1ccc(-c2ccc(Br)c(=O)n2CC(F)F)c(Br)c1
InChIInChI=1S/C15H13Br2F2NO2/c1-2-22-9-3-4-10(12(17)7-9)13-6-5-11(16)15(21)20(13)8-14(18)19/h3-7,14H,2,8H2,1H3
InChIKeyBSJJPDNRGNEECE-UHFFFAOYSA-N
MW437.08 g/mol
LogP4.70
Rot. Bonds5

About 3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one

3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one (PubChem CID 158124370) has the molecular formula C15H13Br2F2NO2 and a molecular weight of 437.08 g/mol. Its IUPAC name is 3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
PubChem CID158124370
Molecular FormulaC15H13Br2F2NO2
Molecular Weight437.08 g/mol
Exact Mass434.93
IUPAC Name3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
SMILESCCOc1ccc(-c2ccc(Br)c(=O)n2CC(F)F)c(Br)c1
InChIInChI=1S/C15H13Br2F2NO2/c1-2-22-9-3-4-10(12(17)7-9)13-6-5-11(16)15(21)20(13)8-14(18)19/h3-7,14H,2,8H2,1H3
InChIKeyBSJJPDNRGNEECE-UHFFFAOYSA-N
XLogP4.70
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.08
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-but-2-ynoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
CID 148869739
3-bromo-1-(2,2-difluoroethyl)-6-[4-(methoxymethoxy)-2-methylphenyl]pyridin-2-one
CID 158395133
6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one
CID 159368712
6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one
CID 160955775
1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one
CID 161221111
6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one
CID 159941555
6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one
CID 148519544
6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450732
1-(2,2-difluoroethyl)-2-(4-ethoxy-2-fluorophenyl)-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 158969829
3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
CID 160746316
2-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-(2,2-difluoroethyl)-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160800626

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one?
The IUPAC name of 3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one (CID 158124370) is 3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one is CCOc1ccc(-c2ccc(Br)c(=O)n2CC(F)F)c(Br)c1.
What is the InChIKey of 3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one?
The InChIKey is BSJJPDNRGNEECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F2NO2/c1-2-22-9-3-4-10(12(17)7-9)13-6-5-11(16)15(21)20(13)8-14(18)19/h3-7,14H,2,8H2,1H3.
What are the key properties of 3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one?
3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one has a molecular weight of 437.08 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one is sourced from PubChem (CID 158124370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).