5-bromo-4-ethoxy-1H-pyridin-2-one

C7H8BrNO2 — CID 119093951

IUPAC5-bromo-4-ethoxy-1H-pyridin-2-one
SMILESCCOc1cc(=O)[nH]cc1Br
InChIInChI=1S/C7H8BrNO2/c1-2-11-6-3-7(10)9-4-5(6)8/h3-4H,2H2,1H3,(H,9,10)
InChIKeyFQJYDKZGCVQUAJ-UHFFFAOYSA-N
MW218.05 g/mol
LogP1.54
Rot. Bonds2

About 5-bromo-4-ethoxy-1H-pyridin-2-one

5-bromo-4-ethoxy-1H-pyridin-2-one (PubChem CID 119093951) has the molecular formula C7H8BrNO2 and a molecular weight of 218.05 g/mol. Its IUPAC name is 5-bromo-4-ethoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-4-ethoxy-1H-pyridin-2-one
PubChem CID119093951
Molecular FormulaC7H8BrNO2
Molecular Weight218.05 g/mol
Exact Mass216.97
IUPAC Name5-bromo-4-ethoxy-1H-pyridin-2-one
SMILESCCOc1cc(=O)[nH]cc1Br
InChIInChI=1S/C7H8BrNO2/c1-2-11-6-3-7(10)9-4-5(6)8/h3-4H,2H2,1H3,(H,9,10)
InChIKeyFQJYDKZGCVQUAJ-UHFFFAOYSA-N
XLogP1.54
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-ethoxy-1H-pyridin-2-one?
The IUPAC name of 5-bromo-4-ethoxy-1H-pyridin-2-one (CID 119093951) is 5-bromo-4-ethoxy-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-4-ethoxy-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-4-ethoxy-1H-pyridin-2-one is CCOc1cc(=O)[nH]cc1Br.
What is the InChIKey of 5-bromo-4-ethoxy-1H-pyridin-2-one?
The InChIKey is FQJYDKZGCVQUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2/c1-2-11-6-3-7(10)9-4-5(6)8/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 5-bromo-4-ethoxy-1H-pyridin-2-one?
5-bromo-4-ethoxy-1H-pyridin-2-one has a molecular weight of 218.05 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-ethoxy-1H-pyridin-2-one is sourced from PubChem (CID 119093951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).