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

C5H3Br2NO — CID 642826

IUPAC3,5-dibromo-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1Br
InChIInChI=1S/C5H3Br2NO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKeyXIFRODWVHSZAMM-UHFFFAOYSA-N
MW252.89 g/mol
LogP1.90
Rot. Bonds

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

3,5-dibromo-1H-pyridin-2-one (PubChem CID 642826) has the molecular formula C5H3Br2NO and a molecular weight of 252.89 g/mol. Its IUPAC name is 3,5-dibromo-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dibromo-1H-pyridin-2-one
PubChem CID642826
Molecular FormulaC5H3Br2NO
Molecular Weight252.89 g/mol
Exact Mass250.86
IUPAC Name3,5-dibromo-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1Br
InChIInChI=1S/C5H3Br2NO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKeyXIFRODWVHSZAMM-UHFFFAOYSA-N
XLogP1.90
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.89
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1H-pyridin-2-one?
The IUPAC name of 3,5-dibromo-1H-pyridin-2-one (CID 642826) is 3,5-dibromo-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dibromo-1H-pyridin-2-one?
The canonical SMILES for 3,5-dibromo-1H-pyridin-2-one is O=c1[nH]cc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-1H-pyridin-2-one?
The InChIKey is XIFRODWVHSZAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br2NO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9).
What are the key properties of 3,5-dibromo-1H-pyridin-2-one?
3,5-dibromo-1H-pyridin-2-one has a molecular weight of 252.89 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1H-pyridin-2-one is sourced from PubChem (CID 642826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).