ethyl 3-(5-bromo-2-oxo-1-pyridinyl)propanoate

C10H12BrNO3 — CID 43365449

IUPACethyl 3-(5-bromo-2-oxo-1-pyridinyl)propanoate
SMILESCCOC(=O)CCn1cc(Br)ccc1=O
InChIInChI=1S/C10H12BrNO3/c1-2-15-10(14)5-6-12-7-8(11)3-4-9(12)13/h3-4,7H,2,5-6H2,1H3
InChIKeyMUTWCZXYFIZSKF-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.56
Rot. Bonds4

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

ethyl 3-(5-bromo-2-oxo-1-pyridinyl)propanoate (PubChem CID 43365449) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is ethyl 3-(5-bromo-2-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-bromo-2-oxo-1-pyridinyl)propanoate
PubChem CID43365449
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Nameethyl 3-(5-bromo-2-oxo-1-pyridinyl)propanoate
SMILESCCOC(=O)CCn1cc(Br)ccc1=O
InChIInChI=1S/C10H12BrNO3/c1-2-15-10(14)5-6-12-7-8(11)3-4-9(12)13/h3-4,7H,2,5-6H2,1H3
InChIKeyMUTWCZXYFIZSKF-UHFFFAOYSA-N
XLogP1.56
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-bromo-2-oxo-1-pyridinyl)propanoate?
The IUPAC name of ethyl 3-(5-bromo-2-oxo-1-pyridinyl)propanoate (CID 43365449) is ethyl 3-(5-bromo-2-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for ethyl 3-(5-bromo-2-oxo-1-pyridinyl)propanoate?
The canonical SMILES for ethyl 3-(5-bromo-2-oxo-1-pyridinyl)propanoate is CCOC(=O)CCn1cc(Br)ccc1=O.
What is the InChIKey of ethyl 3-(5-bromo-2-oxo-1-pyridinyl)propanoate?
The InChIKey is MUTWCZXYFIZSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-2-15-10(14)5-6-12-7-8(11)3-4-9(12)13/h3-4,7H,2,5-6H2,1H3.
What are the key properties of ethyl 3-(5-bromo-2-oxo-1-pyridinyl)propanoate?
ethyl 3-(5-bromo-2-oxo-1-pyridinyl)propanoate has a molecular weight of 274.11 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-bromo-2-oxo-1-pyridinyl)propanoate is sourced from PubChem (CID 43365449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).