ethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate

C9H10BrNO3 — CID 28834261

IUPACethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C9H10BrNO3/c1-2-14-9(13)6-11-5-7(10)3-4-8(11)12/h3-5H,2,6H2,1H3
InChIKeyPRUOYBJSVQRNCS-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.17
Rot. Bonds3

About ethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate

ethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate (PubChem CID 28834261) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is ethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate
PubChem CID28834261
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Nameethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C9H10BrNO3/c1-2-14-9(13)6-11-5-7(10)3-4-8(11)12/h3-5H,2,6H2,1H3
InChIKeyPRUOYBJSVQRNCS-UHFFFAOYSA-N
XLogP1.17
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate?
The IUPAC name of ethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate (CID 28834261) is ethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate is CCOC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of ethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate?
The InChIKey is PRUOYBJSVQRNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-2-14-9(13)6-11-5-7(10)3-4-8(11)12/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate?
ethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate has a molecular weight of 260.09 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 28834261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).