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

C5H2Br2FNO — CID 26338317

IUPAC3,5-dibromo-2-fluoro-1H-pyridin-4-one
SMILESO=c1c(Br)c[nH]c(F)c1Br
InChIInChI=1S/C5H2Br2FNO/c6-2-1-9-5(8)3(7)4(2)10/h1H,(H,9,10)
InChIKeyIEHCZDGDDFNSJP-UHFFFAOYSA-N
MW270.88 g/mol
LogP2.04
Rot. Bonds

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

3,5-dibromo-2-fluoro-1H-pyridin-4-one (PubChem CID 26338317) has the molecular formula C5H2Br2FNO and a molecular weight of 270.88 g/mol. Its IUPAC name is 3,5-dibromo-2-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dibromo-2-fluoro-1H-pyridin-4-one
PubChem CID26338317
Molecular FormulaC5H2Br2FNO
Molecular Weight270.88 g/mol
Exact Mass268.85
IUPAC Name3,5-dibromo-2-fluoro-1H-pyridin-4-one
SMILESO=c1c(Br)c[nH]c(F)c1Br
InChIInChI=1S/C5H2Br2FNO/c6-2-1-9-5(8)3(7)4(2)10/h1H,(H,9,10)
InChIKeyIEHCZDGDDFNSJP-UHFFFAOYSA-N
XLogP2.04
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.88
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-fluoro-1H-pyridin-4-one?
The IUPAC name of 3,5-dibromo-2-fluoro-1H-pyridin-4-one (CID 26338317) is 3,5-dibromo-2-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dibromo-2-fluoro-1H-pyridin-4-one?
The canonical SMILES for 3,5-dibromo-2-fluoro-1H-pyridin-4-one is O=c1c(Br)c[nH]c(F)c1Br.
What is the InChIKey of 3,5-dibromo-2-fluoro-1H-pyridin-4-one?
The InChIKey is IEHCZDGDDFNSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Br2FNO/c6-2-1-9-5(8)3(7)4(2)10/h1H,(H,9,10).
What are the key properties of 3,5-dibromo-2-fluoro-1H-pyridin-4-one?
3,5-dibromo-2-fluoro-1H-pyridin-4-one has a molecular weight of 270.88 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 26338317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).