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

C8H10BrNO2 — CID 112560026

IUPAC1-(3-bromo-2-hydroxypropyl)pyridin-2-one
SMILESO=c1ccccn1CC(O)CBr
InChIInChI=1S/C8H10BrNO2/c9-5-7(11)6-10-4-2-1-3-8(10)12/h1-4,7,11H,5-6H2
InChIKeyQWUDTHZYTZAWNY-UHFFFAOYSA-N
MW232.08 g/mol
LogP0.60
Rot. Bonds3

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

1-(3-bromo-2-hydroxypropyl)pyridin-2-one (PubChem CID 112560026) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 1-(3-bromo-2-hydroxypropyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-bromo-2-hydroxypropyl)pyridin-2-one
PubChem CID112560026
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name1-(3-bromo-2-hydroxypropyl)pyridin-2-one
SMILESO=c1ccccn1CC(O)CBr
InChIInChI=1S/C8H10BrNO2/c9-5-7(11)6-10-4-2-1-3-8(10)12/h1-4,7,11H,5-6H2
InChIKeyQWUDTHZYTZAWNY-UHFFFAOYSA-N
XLogP0.60
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-Hydroxyethyl)-1,2-dihydropyridin-2-one
CID 253137
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-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 162437967
1-(3-Bromo-2-hydroxypropyl)-6-(trifluoromethyl)pyridin-2-one
CID 112560427
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
1-(2,3-Dihydroxypropyl)pyridin-2-one
CID 54381053
1-[2-Hydroxy-3-(2-oxo-1-pyridinyl)propyl]pyridin-2-one
CID 57260124

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-hydroxypropyl)pyridin-2-one?
The IUPAC name of 1-(3-bromo-2-hydroxypropyl)pyridin-2-one (CID 112560026) is 1-(3-bromo-2-hydroxypropyl)pyridin-2-one.
What is the SMILES notation for 1-(3-bromo-2-hydroxypropyl)pyridin-2-one?
The canonical SMILES for 1-(3-bromo-2-hydroxypropyl)pyridin-2-one is O=c1ccccn1CC(O)CBr.
What is the InChIKey of 1-(3-bromo-2-hydroxypropyl)pyridin-2-one?
The InChIKey is QWUDTHZYTZAWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c9-5-7(11)6-10-4-2-1-3-8(10)12/h1-4,7,11H,5-6H2.
What are the key properties of 1-(3-bromo-2-hydroxypropyl)pyridin-2-one?
1-(3-bromo-2-hydroxypropyl)pyridin-2-one has a molecular weight of 232.08 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-hydroxypropyl)pyridin-2-one is sourced from PubChem (CID 112560026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).