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

C8H9Br2NO2 — CID 112560078

IUPAC5-bromo-1-(3-bromo-2-hydroxypropyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1CC(O)CBr
InChIInChI=1S/C8H9Br2NO2/c9-3-7(12)5-11-4-6(10)1-2-8(11)13/h1-2,4,7,12H,3,5H2
InChIKeyLCYYDMOFVHOHQC-UHFFFAOYSA-N
MW310.97 g/mol
LogP1.37
Rot. Bonds3

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

5-bromo-1-(3-bromo-2-hydroxypropyl)pyridin-2-one (PubChem CID 112560078) has the molecular formula C8H9Br2NO2 and a molecular weight of 310.97 g/mol. Its IUPAC name is 5-bromo-1-(3-bromo-2-hydroxypropyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(3-bromo-2-hydroxypropyl)pyridin-2-one
PubChem CID112560078
Molecular FormulaC8H9Br2NO2
Molecular Weight310.97 g/mol
Exact Mass308.90
IUPAC Name5-bromo-1-(3-bromo-2-hydroxypropyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1CC(O)CBr
InChIInChI=1S/C8H9Br2NO2/c9-3-7(12)5-11-4-6(10)1-2-8(11)13/h1-2,4,7,12H,3,5H2
InChIKeyLCYYDMOFVHOHQC-UHFFFAOYSA-N
XLogP1.37
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.97
LogP ≤ 51.37
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

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
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
5-Bromo-1-(2-hydroxypropyl)pyridin-2-one
CID 60884691
3-Bromo-1-(2-hydroxyethyl)pyridin-2-one
CID 82147122
1-(3-Amino-2-hydroxypropyl)-5-bromopyridin-2-one
CID 20118985

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-bromo-2-hydroxypropyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(3-bromo-2-hydroxypropyl)pyridin-2-one (CID 112560078) is 5-bromo-1-(3-bromo-2-hydroxypropyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(3-bromo-2-hydroxypropyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(3-bromo-2-hydroxypropyl)pyridin-2-one is O=c1ccc(Br)cn1CC(O)CBr.
What is the InChIKey of 5-bromo-1-(3-bromo-2-hydroxypropyl)pyridin-2-one?
The InChIKey is LCYYDMOFVHOHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Br2NO2/c9-3-7(12)5-11-4-6(10)1-2-8(11)13/h1-2,4,7,12H,3,5H2.
What are the key properties of 5-bromo-1-(3-bromo-2-hydroxypropyl)pyridin-2-one?
5-bromo-1-(3-bromo-2-hydroxypropyl)pyridin-2-one has a molecular weight of 310.97 g/mol, XLogP of 1.37, 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-bromo-2-hydroxypropyl)pyridin-2-one is sourced from PubChem (CID 112560078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).