ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate

C13H16BrNO4 — CID 103484823

IUPACethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)Cn1cc(Br)cc(C)c1=O
InChIInChI=1S/C13H16BrNO4/c1-3-19-12(17)5-4-11(16)8-15-7-10(14)6-9(2)13(15)18/h6-7H,3-5,8H2,1-2H3
InChIKeyBMYHYTUXBJZHND-UHFFFAOYSA-N
MW330.18 g/mol
LogP1.83
Rot. Bonds6

About ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate

ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate (PubChem CID 103484823) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate
PubChem CID103484823
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Nameethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)Cn1cc(Br)cc(C)c1=O
InChIInChI=1S/C13H16BrNO4/c1-3-19-12(17)5-4-11(16)8-15-7-10(14)6-9(2)13(15)18/h6-7H,3-5,8H2,1-2H3
InChIKeyBMYHYTUXBJZHND-UHFFFAOYSA-N
XLogP1.83
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3,5-dibromo-2-oxo-1-pyridinyl)-3-oxobutanoate
CID 113413565
hydrazinyl 3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)propanoate
CID 83133573
ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate
CID 103484835
3-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-N-ethylpropanamide
CID 83133302
1-(2-aminooxyethyl)-5-bromo-3-methylpyridin-2-one
CID 131021073
ethyl 5-(4-methyl-2-oxopyrimidin-1-yl)-4-oxopentanoate
CID 114217409
ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate
CID 84570724
5-bromo-3-methyl-1-(3-methylbut-3-enyl)pyridin-2-one
CID 114476431
5-bromo-1-[2-(2,6-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one
CID 83133898
5-bromo-1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one
CID 83132877
5-bromo-1-(4-bromobutyl)-3-methylpyridin-2-one
CID 83130815
5-bromo-3-methyl-1-(2-propoxyethyl)pyridin-2-one
CID 106455788

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate?
The IUPAC name of ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate (CID 103484823) is ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate.
What is the SMILES notation for ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate?
The canonical SMILES for ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate is CCOC(=O)CCC(=O)Cn1cc(Br)cc(C)c1=O.
What is the InChIKey of ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate?
The InChIKey is BMYHYTUXBJZHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4/c1-3-19-12(17)5-4-11(16)8-15-7-10(14)6-9(2)13(15)18/h6-7H,3-5,8H2,1-2H3.
What are the key properties of ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate?
ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate has a molecular weight of 330.18 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-bromo-3-methyl-2-oxo-1-pyridinyl)-4-oxopentanoate is sourced from PubChem (CID 103484823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).