5-bromo-1-(2-oxopropyl)pyridin-2-one

C8H8BrNO2 — CID 60665626

IUPAC5-bromo-1-(2-oxopropyl)pyridin-2-one
SMILESCC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C8H8BrNO2/c1-6(11)4-10-5-7(9)2-3-8(10)12/h2-3,5H,4H2,1H3
InChIKeyOHBXDSMXGOYFOC-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.20
Rot. Bonds2

About 5-bromo-1-(2-oxopropyl)pyridin-2-one

5-bromo-1-(2-oxopropyl)pyridin-2-one (PubChem CID 60665626) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 5-bromo-1-(2-oxopropyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(2-oxopropyl)pyridin-2-one
PubChem CID60665626
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name5-bromo-1-(2-oxopropyl)pyridin-2-one
SMILESCC(=O)Cn1cc(Br)ccc1=O
InChIInChI=1S/C8H8BrNO2/c1-6(11)4-10-5-7(9)2-3-8(10)12/h2-3,5H,4H2,1H3
InChIKeyOHBXDSMXGOYFOC-UHFFFAOYSA-N
XLogP1.20
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-oxopropyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(2-oxopropyl)pyridin-2-one (CID 60665626) is 5-bromo-1-(2-oxopropyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(2-oxopropyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(2-oxopropyl)pyridin-2-one is CC(=O)Cn1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-(2-oxopropyl)pyridin-2-one?
The InChIKey is OHBXDSMXGOYFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c1-6(11)4-10-5-7(9)2-3-8(10)12/h2-3,5H,4H2,1H3.
What are the key properties of 5-bromo-1-(2-oxopropyl)pyridin-2-one?
5-bromo-1-(2-oxopropyl)pyridin-2-one has a molecular weight of 230.06 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-oxopropyl)pyridin-2-one is sourced from PubChem (CID 60665626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).