5-bromo-1-(2-hydroxyethyl)-4-methylpyridin-2-one

C8H10BrNO2 — CID 82147124

IUPAC5-bromo-1-(2-hydroxyethyl)-4-methylpyridin-2-one
SMILESCc1cc(=O)n(CCO)cc1Br
InChIInChI=1S/C8H10BrNO2/c1-6-4-8(12)10(2-3-11)5-7(6)9/h4-5,11H,2-3H2,1H3
InChIKeyZSDGIXVRTAKQFZ-UHFFFAOYSA-N
MW232.08 g/mol
LogP0.91
Rot. Bonds2

About 5-bromo-1-(2-hydroxyethyl)-4-methylpyridin-2-one

5-bromo-1-(2-hydroxyethyl)-4-methylpyridin-2-one (PubChem CID 82147124) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 5-bromo-1-(2-hydroxyethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(2-hydroxyethyl)-4-methylpyridin-2-one
PubChem CID82147124
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name5-bromo-1-(2-hydroxyethyl)-4-methylpyridin-2-one
SMILESCc1cc(=O)n(CCO)cc1Br
InChIInChI=1S/C8H10BrNO2/c1-6-4-8(12)10(2-3-11)5-7(6)9/h4-5,11H,2-3H2,1H3
InChIKeyZSDGIXVRTAKQFZ-UHFFFAOYSA-N
XLogP0.91
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-1-(2-hydroxyethyl)-1,2-dihydropyridin-2-one
CID 68738532
5-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one
CID 43419433
5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 138023264
6-Hydroxy-1-(2-hydroxyethyl)-4-methyl-2(1H)-pyridinone
CID 21264862
6-Hydroxy-1-(2-hydroxyethyl)-4,5-dimethylpyridin-2-one
CID 23338683
5-Bromo-1-ethyl-6-hydroxy-4-methylpyridin-2-one
CID 54265289
1-(2-Hydroxyethyl)-5-methylpyridin-2-one
CID 59276081
1-(2-Hydroxyethyl)-4-methylpyridin-2-one
CID 62961055
4-bromo-1-[(E)-3-hydroxy-2-methylprop-2-enyl]pyridin-2-one
CID 66790063
5-Bromo-1-(2-hydroxyethyl)-3-methylpyridin-2-one
CID 79015024
5-Bromo-1-ethyl-4-methylpyridin-2-one
CID 84103132
Ethane;1-(2-hydroxyethyl)-4-methylpyridin-2-one
CID 144084025

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The IUPAC name of 5-bromo-1-(2-hydroxyethyl)-4-methylpyridin-2-one (CID 82147124) is 5-bromo-1-(2-hydroxyethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The canonical SMILES for 5-bromo-1-(2-hydroxyethyl)-4-methylpyridin-2-one is Cc1cc(=O)n(CCO)cc1Br.
What is the InChIKey of 5-bromo-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The InChIKey is ZSDGIXVRTAKQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-6-4-8(12)10(2-3-11)5-7(6)9/h4-5,11H,2-3H2,1H3.
What are the key properties of 5-bromo-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
5-bromo-1-(2-hydroxyethyl)-4-methylpyridin-2-one has a molecular weight of 232.08 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-hydroxyethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 82147124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).