5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one

C14H10BrF2NO2 — CID 83133898

IUPAC5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(CC(=O)c2c(F)cccc2F)c1=O
InChIInChI=1S/C14H10BrF2NO2/c1-8-5-9(15)6-18(14(8)20)7-12(19)13-10(16)3-2-4-11(13)17/h2-6H,7H2,1H3
InChIKeyVORZVZLWVHPODB-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.08
Rot. Bonds3

About 5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one

5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one (PubChem CID 83133898) has the molecular formula C14H10BrF2NO2 and a molecular weight of 342.14 g/mol. Its IUPAC name is 5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one
PubChem CID83133898
Molecular FormulaC14H10BrF2NO2
Molecular Weight342.14 g/mol
Exact Mass340.99
IUPAC Name5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(CC(=O)c2c(F)cccc2F)c1=O
InChIInChI=1S/C14H10BrF2NO2/c1-8-5-9(15)6-18(14(8)20)7-12(19)13-10(16)3-2-4-11(13)17/h2-6H,7H2,1H3
InChIKeyVORZVZLWVHPODB-UHFFFAOYSA-N
XLogP3.08
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one
CID 83133045
5-bromo-1-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methylpyridin-2-one
CID 83133721
1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one
CID 55153497
5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one
CID 83132877
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoic acid
CID 106698935
5-bromo-1-(2-cyclopentyl-2-oxoethyl)-3-methylpyridin-2-one
CID 104751621
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-3-fluorobenzamide
CID 83133649
5-bromo-3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 83133727
5-bromo-3-methyl-1-[2-(3-methylanilino)ethyl]pyridin-2-one
CID 83133830
1-[(4-amino-2-fluorophenyl)methyl]-5-bromo-3-methylpyridin-2-one
CID 83130711
ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate
CID 103484823
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 83131010

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one (CID 83133898) is 5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one is Cc1cc(Br)cn(CC(=O)c2c(F)cccc2F)c1=O.
What is the InChIKey of 5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one?
The InChIKey is VORZVZLWVHPODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2/c1-8-5-9(15)6-18(14(8)20)7-12(19)13-10(16)3-2-4-11(13)17/h2-6H,7H2,1H3.
What are the key properties of 5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one?
5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one has a molecular weight of 342.14 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one is sourced from PubChem (CID 83133898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).