2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid

C11H14BrNO3 — CID 82152056

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)n1cc(Br)ccc1=O
InChIInChI=1S/C11H14BrNO3/c1-3-11(4-2,10(15)16)13-7-8(12)5-6-9(13)14/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyWJOXVCBQAVYMQB-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.21
Rot. Bonds4

About 2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid

2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid (PubChem CID 82152056) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid
PubChem CID82152056
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)n1cc(Br)ccc1=O
InChIInChI=1S/C11H14BrNO3/c1-3-11(4-2,10(15)16)13-7-8(12)5-6-9(13)14/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyWJOXVCBQAVYMQB-UHFFFAOYSA-N
XLogP2.21
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-bromo-2-oxo-1-pyridinyl)-2,2-dimethylpropanoic acid
CID 79023892
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-2-methylbutanoic acid
CID 79792760
2-ethyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-1-pyridinyl]butanoic acid
CID 94758815
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
CID 64558178
5-bromo-1-methylpyridin-2-one
CID 13024027
2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid
CID 82146669
5-bromo-N-methyl-2-oxopyridine-1-carboxamide
CID 70471044
2-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid
CID 78969508
(2S)-2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61144242
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]-N-propylacetamide
CID 78815021
2-(3-butoxy-2-oxo-1-pyridinyl)-2-ethylbutanoic acid
CID 82152064
2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid
CID 43465461

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid (CID 82152056) is 2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid is CCC(CC)(C(=O)O)n1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid?
The InChIKey is WJOXVCBQAVYMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-3-11(4-2,10(15)16)13-7-8(12)5-6-9(13)14/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid?
2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid has a molecular weight of 288.14 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-2-ethylbutanoic acid is sourced from PubChem (CID 82152056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).