3-bromo-1-(2-hydroxypropyl)pyridin-2-one

C8H10BrNO2 — CID 114760755

IUPAC3-bromo-1-(2-hydroxypropyl)pyridin-2-one
SMILESCC(O)Cn1cccc(Br)c1=O
InChIInChI=1S/C8H10BrNO2/c1-6(11)5-10-4-2-3-7(9)8(10)12/h2-4,6,11H,5H2,1H3
InChIKeyUPKJHYQSJZHUSU-UHFFFAOYSA-N
MW232.08 g/mol
LogP0.99
Rot. Bonds2

About 3-bromo-1-(2-hydroxypropyl)pyridin-2-one

3-bromo-1-(2-hydroxypropyl)pyridin-2-one (PubChem CID 114760755) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 3-bromo-1-(2-hydroxypropyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2-hydroxypropyl)pyridin-2-one
PubChem CID114760755
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name3-bromo-1-(2-hydroxypropyl)pyridin-2-one
SMILESCC(O)Cn1cccc(Br)c1=O
InChIInChI=1S/C8H10BrNO2/c1-6(11)5-10-4-2-3-7(9)8(10)12/h2-4,6,11H,5H2,1H3
InChIKeyUPKJHYQSJZHUSU-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
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-1-(2-hydroxyethyl)-1,2-dihydropyridin-2-one hydrochloride
CID 71758197
3-Bromo-4-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 162437542
3-Bromo-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 162437967
5-Fluoro-1-(2-hydroxypropyl)pyridin-2-one
CID 130834553
1-(3-Bromo-2-hydroxypropyl)-5-fluoropyridin-2-one
CID 130878196
5-Bromo-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 172415369
1-(2-Hydroxypropyl)pyridin-2-one
CID 12440341
5-bromo-1-(3-hydroxypropyl)pyridin-2(1H)-one
CID 43509751
1-[2-Hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one
CID 57260124
5-Bromo-1-(1-hydroxypropan-2-yl)pyridin-2(1H)-one
CID 58070342

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-hydroxypropyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(2-hydroxypropyl)pyridin-2-one (CID 114760755) is 3-bromo-1-(2-hydroxypropyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2-hydroxypropyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(2-hydroxypropyl)pyridin-2-one is CC(O)Cn1cccc(Br)c1=O.
What is the InChIKey of 3-bromo-1-(2-hydroxypropyl)pyridin-2-one?
The InChIKey is UPKJHYQSJZHUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-6(11)5-10-4-2-3-7(9)8(10)12/h2-4,6,11H,5H2,1H3.
What are the key properties of 3-bromo-1-(2-hydroxypropyl)pyridin-2-one?
3-bromo-1-(2-hydroxypropyl)pyridin-2-one has a molecular weight of 232.08 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-hydroxypropyl)pyridin-2-one is sourced from PubChem (CID 114760755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).