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

C11H14BrNO4 — CID 82777495

IUPACethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H14BrNO4/c1-2-17-11(16)5-9(14)7-13-6-8(12)3-4-10(13)15/h3-4,6,9,14H,2,5,7H2,1H3
InChIKeyPUXZQOCDAKZPQV-UHFFFAOYSA-N
MW304.14 g/mol
LogP0.92
Rot. Bonds5

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

ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate (PubChem CID 82777495) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate
PubChem CID82777495
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Nameethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C11H14BrNO4/c1-2-17-11(16)5-9(14)7-13-6-8(12)3-4-10(13)15/h3-4,6,9,14H,2,5,7H2,1H3
InChIKeyPUXZQOCDAKZPQV-UHFFFAOYSA-N
XLogP0.92
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-(3-bromo-2-hydroxypropyl)pyridin-2-one
CID 112560078
1-(2-aminobutyl)-5-bromopyridin-2-one
CID 82144020
ethyl (2S)-2-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]oxypropanoate
CID 75494413
3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide
CID 66309112
ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate
CID 82776514
ethyl 3-hydroxy-4-(3-methyl-2-oxo-1-pyridinyl)butanoate
CID 82777530
ethyl 4-(4-bromopyrazol-1-yl)-3-hydroxybutanoate
CID 82775509
5-bromo-1-(2-methylbutyl)pyridin-2-one
CID 66311037
ethyl 3-hydroxy-4-(1-oxoisoquinolin-2-yl)butanoate
CID 82777279
methyl 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate
CID 43406961
ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate
CID 82778065
ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate
CID 82777232

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate?
The IUPAC name of ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate (CID 82777495) is ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate is CCOC(=O)CC(O)Cn1cc(Br)ccc1=O.
What is the InChIKey of ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate?
The InChIKey is PUXZQOCDAKZPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-2-17-11(16)5-9(14)7-13-6-8(12)3-4-10(13)15/h3-4,6,9,14H,2,5,7H2,1H3.
What are the key properties of ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate?
ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate has a molecular weight of 304.14 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate is sourced from PubChem (CID 82777495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).