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

C16H16BrF2NO3 — CID 158626674

IUPAC3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one
SMILESCCn1c(-c2c(F)cc(OCCOC)cc2F)ccc(Br)c1=O
InChIInChI=1S/C16H16BrF2NO3/c1-3-20-14(5-4-11(17)16(20)21)15-12(18)8-10(9-13(15)19)23-7-6-22-2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyXTAWQKVVCWZKMF-UHFFFAOYSA-N
MW388.21 g/mol
LogP3.60
Rot. Bonds6

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

3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one (PubChem CID 158626674) has the molecular formula C16H16BrF2NO3 and a molecular weight of 388.21 g/mol. Its IUPAC name is 3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one
PubChem CID158626674
Molecular FormulaC16H16BrF2NO3
Molecular Weight388.21 g/mol
Exact Mass387.03
IUPAC Name3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one
SMILESCCn1c(-c2c(F)cc(OCCOC)cc2F)ccc(Br)c1=O
InChIInChI=1S/C16H16BrF2NO3/c1-3-20-14(5-4-11(17)16(20)21)15-12(18)8-10(9-13(15)19)23-7-6-22-2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyXTAWQKVVCWZKMF-UHFFFAOYSA-N
XLogP3.60
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-1-ethylpyridin-2-one
CID 148744943
3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
CID 160746316
6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one
CID 153055474
3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one
CID 161125403
2-[4-(1-ethyl-5-iodo-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile
CID 159149420
5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one
CID 142452805
6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one
CID 146946992
3-bromo-6-[4-(2-methoxyethoxy)-2-methylphenyl]-1-methylpyridin-2-one
CID 157332522
2-[4-(1-ethyl-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile
CID 161392900
6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodo-3,4-dihydropyridin-2-one
CID 153451159
3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one
CID 158306335
2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159431424

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one?
The IUPAC name of 3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one (CID 158626674) is 3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one.
What is the SMILES notation for 3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one?
The canonical SMILES for 3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one is CCn1c(-c2c(F)cc(OCCOC)cc2F)ccc(Br)c1=O.
What is the InChIKey of 3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one?
The InChIKey is XTAWQKVVCWZKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO3/c1-3-20-14(5-4-11(17)16(20)21)15-12(18)8-10(9-13(15)19)23-7-6-22-2/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one?
3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one has a molecular weight of 388.21 g/mol, XLogP of 3.60, 6 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-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one is sourced from PubChem (CID 158626674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).