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

C5H4BrNO2 — CID 12563083

IUPAC5-bromo-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1O
InChIInChI=1S/C5H4BrNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)
InChIKeyKXBXUHWCODHRHK-UHFFFAOYSA-N
MW190.00 g/mol
LogP0.84
Rot. Bonds

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

5-bromo-3-hydroxy-1H-pyridin-2-one (PubChem CID 12563083) has the molecular formula C5H4BrNO2 and a molecular weight of 190.00 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-1H-pyridin-2-one
PubChem CID12563083
Molecular FormulaC5H4BrNO2
Molecular Weight190.00 g/mol
Exact Mass188.94
IUPAC Name5-bromo-3-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1O
InChIInChI=1S/C5H4BrNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)
InChIKeyKXBXUHWCODHRHK-UHFFFAOYSA-N
XLogP0.84
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.00
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-hydroxy-1H-pyridin-2-one (CID 12563083) is 5-bromo-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-1H-pyridin-2-one is O=c1[nH]cc(Br)cc1O.
What is the InChIKey of 5-bromo-3-hydroxy-1H-pyridin-2-one?
The InChIKey is KXBXUHWCODHRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9).
What are the key properties of 5-bromo-3-hydroxy-1H-pyridin-2-one?
5-bromo-3-hydroxy-1H-pyridin-2-one has a molecular weight of 190.00 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 12563083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).