3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one

C13H8BrCl2NO2 — CID 114760562

IUPAC3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cccc(Br)c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8BrCl2NO2/c14-10-2-1-5-17(13(10)19)7-12(18)9-4-3-8(15)6-11(9)16/h1-6H,7H2
InChIKeyKJWWUDJDGXSPFX-UHFFFAOYSA-N
MW361.02 g/mol
LogP3.80
Rot. Bonds3

About 3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one

3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one (PubChem CID 114760562) has the molecular formula C13H8BrCl2NO2 and a molecular weight of 361.02 g/mol. Its IUPAC name is 3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one
PubChem CID114760562
Molecular FormulaC13H8BrCl2NO2
Molecular Weight361.02 g/mol
Exact Mass358.91
IUPAC Name3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cccc(Br)c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8BrCl2NO2/c14-10-2-1-5-17(13(10)19)7-12(18)9-4-3-8(15)6-11(9)16/h1-6H,7H2
InChIKeyKJWWUDJDGXSPFX-UHFFFAOYSA-N
XLogP3.80
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.02
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one
CID 114760860
3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one
CID 114760623
6-bromo-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 3290687
3-bromo-1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]pyridin-2-one
CID 114760678
3-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyridin-2-one
CID 106439742
5-[2-(2,5-dichlorophenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735034
2-(2-bromo-4-nitroimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone
CID 71618794
2-(3-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide
CID 114761115
4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one
CID 166162766
2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 166094938
3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one
CID 114760810
1-(2-bromo-4-chlorophenyl)-2-chloroethanone
CID 103693977

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one (CID 114760562) is 3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one is O=C(Cn1cccc(Br)c1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one?
The InChIKey is KJWWUDJDGXSPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2NO2/c14-10-2-1-5-17(13(10)19)7-12(18)9-4-3-8(15)6-11(9)16/h1-6H,7H2.
What are the key properties of 3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one?
3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one has a molecular weight of 361.02 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 114760562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).