3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one

C15H14BrF2NO3 — CID 148744943

IUPAC3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one
SMILESCCn1c(-c2c(F)cc(OCOC)cc2F)ccc(Br)c1=O
InChIInChI=1S/C15H14BrF2NO3/c1-3-19-13(5-4-10(16)15(19)20)14-11(17)6-9(7-12(14)18)22-8-21-2/h4-7H,3,8H2,1-2H3
InChIKeyOQRHVMWCUNRBBN-UHFFFAOYSA-N
MW374.18 g/mol
LogP3.56
Rot. Bonds5

About 3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one

3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one (PubChem CID 148744943) has the molecular formula C15H14BrF2NO3 and a molecular weight of 374.18 g/mol. Its IUPAC name is 3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one
PubChem CID148744943
Molecular FormulaC15H14BrF2NO3
Molecular Weight374.18 g/mol
Exact Mass373.01
IUPAC Name3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one
SMILESCCn1c(-c2c(F)cc(OCOC)cc2F)ccc(Br)c1=O
InChIInChI=1S/C15H14BrF2NO3/c1-3-19-13(5-4-10(16)15(19)20)14-11(17)6-9(7-12(14)18)22-8-21-2/h4-7H,3,8H2,1-2H3
InChIKeyOQRHVMWCUNRBBN-UHFFFAOYSA-N
XLogP3.56
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 53.56
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-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one
CID 158626674
3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one
CID 161125403
6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one
CID 153055474
2-[4-(1-ethyl-5-iodo-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile
CID 159149420
3-bromo-1-(2,2-difluoroethyl)-6-[4-(methoxymethoxy)-2-methylphenyl]pyridin-2-one
CID 158395133
3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
CID 160746316
2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile
CID 161392900
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one
CID 160605392
3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one
CID 158306335
6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one
CID 159941555
3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450466

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one?
The IUPAC name of 3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one (CID 148744943) is 3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one.
What is the SMILES notation for 3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one?
The canonical SMILES for 3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one is CCn1c(-c2c(F)cc(OCOC)cc2F)ccc(Br)c1=O.
What is the InChIKey of 3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one?
The InChIKey is OQRHVMWCUNRBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO3/c1-3-19-13(5-4-10(16)15(19)20)14-11(17)6-9(7-12(14)18)22-8-21-2/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one?
3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one has a molecular weight of 374.18 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one is sourced from PubChem (CID 148744943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).