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

C8H9BrClNO2 — CID 86776497

IUPAC5-bromo-1-(2-oxopropyl)pyridin-2-one;hydrochloride
SMILESCC(=O)Cn1cc(Br)ccc1=O.Cl
InChIInChI=1S/C8H8BrNO2.ClH/c1-6(11)4-10-5-7(9)2-3-8(10)12;/h2-3,5H,4H2,1H3;1H
InChIKeyOOGVCWWLLIUDBT-UHFFFAOYSA-N
MW266.52 g/mol
LogP1.62
Rot. Bonds2

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

5-bromo-1-(2-oxopropyl)pyridin-2-one;hydrochloride (PubChem CID 86776497) has the molecular formula C8H9BrClNO2 and a molecular weight of 266.52 g/mol. Its IUPAC name is 5-bromo-1-(2-oxopropyl)pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-bromo-1-(2-oxopropyl)pyridin-2-one;hydrochloride
PubChem CID86776497
Molecular FormulaC8H9BrClNO2
Molecular Weight266.52 g/mol
Exact Mass264.95
IUPAC Name5-bromo-1-(2-oxopropyl)pyridin-2-one;hydrochloride
SMILESCC(=O)Cn1cc(Br)ccc1=O.Cl
InChIInChI=1S/C8H8BrNO2.ClH/c1-6(11)4-10-5-7(9)2-3-8(10)12;/h2-3,5H,4H2,1H3;1H
InChIKeyOOGVCWWLLIUDBT-UHFFFAOYSA-N
XLogP1.62
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.52
LogP ≤ 51.62
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;hydrochloride?
The IUPAC name of 5-bromo-1-(2-oxopropyl)pyridin-2-one;hydrochloride (CID 86776497) is 5-bromo-1-(2-oxopropyl)pyridin-2-one;hydrochloride.
What is the SMILES notation for 5-bromo-1-(2-oxopropyl)pyridin-2-one;hydrochloride?
The canonical SMILES for 5-bromo-1-(2-oxopropyl)pyridin-2-one;hydrochloride is CC(=O)Cn1cc(Br)ccc1=O.Cl.
What is the InChIKey of 5-bromo-1-(2-oxopropyl)pyridin-2-one;hydrochloride?
The InChIKey is OOGVCWWLLIUDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2.ClH/c1-6(11)4-10-5-7(9)2-3-8(10)12;/h2-3,5H,4H2,1H3;1H.
What are the key properties of 5-bromo-1-(2-oxopropyl)pyridin-2-one;hydrochloride?
5-bromo-1-(2-oxopropyl)pyridin-2-one;hydrochloride has a molecular weight of 266.52 g/mol, XLogP of 1.62, 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;hydrochloride is sourced from PubChem (CID 86776497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).