5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one

C5H3BrClNO2 — CID 23227166

IUPAC5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]c(Cl)c(Br)cc1O
InChIInChI=1S/C5H3BrClNO2/c6-2-1-3(9)5(10)8-4(2)7/h1,9H,(H,8,10)
InChIKeyMNXQHLMPBOAFPT-UHFFFAOYSA-N
MW224.44 g/mol
LogP1.50
Rot. Bonds

About 5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one

5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one (PubChem CID 23227166) has the molecular formula C5H3BrClNO2 and a molecular weight of 224.44 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one
PubChem CID23227166
Molecular FormulaC5H3BrClNO2
Molecular Weight224.44 g/mol
Exact Mass222.90
IUPAC Name5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]c(Cl)c(Br)cc1O
InChIInChI=1S/C5H3BrClNO2/c6-2-1-3(9)5(10)8-4(2)7/h1,9H,(H,8,10)
InChIKeyMNXQHLMPBOAFPT-UHFFFAOYSA-N
XLogP1.50
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-Chloro-2,3,6-tri-hydroxypyridine
CID 129701760
6-Chloro-3-hydroxypyridin-2(1H)-one
CID 46891672
5,6-Dichloro-2,3-dihydroxypyridine
CID 137700803
5-bromo-4-chloro-3-hydroxy-1H-pyridin-2-one
CID 19844403
6-bromo-3-hydroxy-1H-pyridin-2-one
CID 89584652
5,6-dibromo-3-hydroxy-1H-pyridin-2-one
CID 90076176
6-bromo-5-chloro-3-hydroxypyridin-2(1H)-one
CID 117690888

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one (CID 23227166) is 5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one is O=c1[nH]c(Cl)c(Br)cc1O.
What is the InChIKey of 5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one?
The InChIKey is MNXQHLMPBOAFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrClNO2/c6-2-1-3(9)5(10)8-4(2)7/h1,9H,(H,8,10).
What are the key properties of 5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one?
5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one has a molecular weight of 224.44 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 23227166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).