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

C8H9BrClNO2 — CID 112560079

IUPAC5-bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1CC(O)CCl
InChIInChI=1S/C8H9BrClNO2/c9-6-1-2-8(13)11(4-6)5-7(12)3-10/h1-2,4,7,12H,3,5H2
InChIKeyZEUMNODJNWRLGB-UHFFFAOYSA-N
MW266.52 g/mol
LogP1.21
Rot. Bonds3

About 5-bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one

5-bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one (PubChem CID 112560079) has the molecular formula C8H9BrClNO2 and a molecular weight of 266.52 g/mol. Its IUPAC name is 5-bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one
PubChem CID112560079
Molecular FormulaC8H9BrClNO2
Molecular Weight266.52 g/mol
Exact Mass264.95
IUPAC Name5-bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1CC(O)CCl
InChIInChI=1S/C8H9BrClNO2/c9-6-1-2-8(13)11(4-6)5-7(12)3-10/h1-2,4,7,12H,3,5H2
InChIKeyZEUMNODJNWRLGB-UHFFFAOYSA-N
XLogP1.21
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.52
LogP ≤ 51.21
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-(3-Chloro-2-hydroxypropyl)-5-fluoropyridin-2-one
CID 130834555
5-Bromo-1-(2-hydroxypropyl)pyridin-2-one
CID 60884691
1-(3-Chloro-2-hydroxypropyl)pyridin-2-one
CID 24741265
5-Bromo-1-[2-(2-chloroethoxy)ethyl]pyridin-2-one
CID 63663775
3,5-Dibromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one
CID 104451423
5-Bromo-1-(3-bromo-2-hydroxypropyl)pyridin-2-one
CID 112560078
1-(3-Chloro-2-hydroxypropyl)-6-methylpyridin-2-one
CID 112560173
1-(3-Chloro-2-hydroxypropyl)-3-methylpyridin-2-one
CID 112560286
5-Bromo-1-(3-chloro-2-hydroxypropyl)-3-methylpyridin-2-one
CID 112560448
3-Bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one
CID 114760414
3-Bromo-1-(2-hydroxypropyl)pyridin-2-one
CID 114760755

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one (CID 112560079) is 5-bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one is O=c1ccc(Br)cn1CC(O)CCl.
What is the InChIKey of 5-bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one?
The InChIKey is ZEUMNODJNWRLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO2/c9-6-1-2-8(13)11(4-6)5-7(12)3-10/h1-2,4,7,12H,3,5H2.
What are the key properties of 5-bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one?
5-bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one has a molecular weight of 266.52 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3-chloro-2-hydroxypropyl)pyridin-2-one is sourced from PubChem (CID 112560079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).