3,5-dibromo-4-hydroxy-1H-pyridin-2-one

C5H3Br2NO2 — CID 54708939

IUPAC3,5-dibromo-4-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(O)c1Br
InChIInChI=1S/C5H3Br2NO2/c6-2-1-8-5(10)3(7)4(2)9/h1H,(H2,8,9,10)
InChIKeyHKXODMWXBCAVFQ-UHFFFAOYSA-N
MW268.89 g/mol
LogP1.61
Rot. Bonds

About 3,5-dibromo-4-hydroxy-1H-pyridin-2-one

3,5-dibromo-4-hydroxy-1H-pyridin-2-one (PubChem CID 54708939) has the molecular formula C5H3Br2NO2 and a molecular weight of 268.89 g/mol. Its IUPAC name is 3,5-dibromo-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dibromo-4-hydroxy-1H-pyridin-2-one
PubChem CID54708939
Molecular FormulaC5H3Br2NO2
Molecular Weight268.89 g/mol
Exact Mass266.85
IUPAC Name3,5-dibromo-4-hydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(O)c1Br
InChIInChI=1S/C5H3Br2NO2/c6-2-1-8-5(10)3(7)4(2)9/h1H,(H2,8,9,10)
InChIKeyHKXODMWXBCAVFQ-UHFFFAOYSA-N
XLogP1.61
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.89
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 3,5-dibromo-4-hydroxy-1H-pyridin-2-one (CID 54708939) is 3,5-dibromo-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dibromo-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 3,5-dibromo-4-hydroxy-1H-pyridin-2-one is O=c1[nH]cc(Br)c(O)c1Br.
What is the InChIKey of 3,5-dibromo-4-hydroxy-1H-pyridin-2-one?
The InChIKey is HKXODMWXBCAVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br2NO2/c6-2-1-8-5(10)3(7)4(2)9/h1H,(H2,8,9,10).
What are the key properties of 3,5-dibromo-4-hydroxy-1H-pyridin-2-one?
3,5-dibromo-4-hydroxy-1H-pyridin-2-one has a molecular weight of 268.89 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 54708939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).