2-bromo-3-fluoro-1H-pyridin-4-one

C5H3BrFNO — CID 57415770

IUPAC2-bromo-3-fluoro-1H-pyridin-4-one
SMILESO=c1cc[nH]c(Br)c1F
InChIInChI=1S/C5H3BrFNO/c6-5-4(7)3(9)1-2-8-5/h1-2H,(H,8,9)
InChIKeyVCVUPJYFPKDKGZ-UHFFFAOYSA-N
MW191.99 g/mol
LogP1.28
Rot. Bonds

About 2-bromo-3-fluoro-1H-pyridin-4-one

2-bromo-3-fluoro-1H-pyridin-4-one (PubChem CID 57415770) has the molecular formula C5H3BrFNO and a molecular weight of 191.99 g/mol. Its IUPAC name is 2-bromo-3-fluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-bromo-3-fluoro-1H-pyridin-4-one
PubChem CID57415770
Molecular FormulaC5H3BrFNO
Molecular Weight191.99 g/mol
Exact Mass190.94
IUPAC Name2-bromo-3-fluoro-1H-pyridin-4-one
SMILESO=c1cc[nH]c(Br)c1F
InChIInChI=1S/C5H3BrFNO/c6-5-4(7)3(9)1-2-8-5/h1-2H,(H,8,9)
InChIKeyVCVUPJYFPKDKGZ-UHFFFAOYSA-N
XLogP1.28
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.99
LogP ≤ 51.28
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 2-bromo-3-fluoro-1H-pyridin-4-one?
The IUPAC name of 2-bromo-3-fluoro-1H-pyridin-4-one (CID 57415770) is 2-bromo-3-fluoro-1H-pyridin-4-one.
What is the SMILES notation for 2-bromo-3-fluoro-1H-pyridin-4-one?
The canonical SMILES for 2-bromo-3-fluoro-1H-pyridin-4-one is O=c1cc[nH]c(Br)c1F.
What is the InChIKey of 2-bromo-3-fluoro-1H-pyridin-4-one?
The InChIKey is VCVUPJYFPKDKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrFNO/c6-5-4(7)3(9)1-2-8-5/h1-2H,(H,8,9).
What are the key properties of 2-bromo-3-fluoro-1H-pyridin-4-one?
2-bromo-3-fluoro-1H-pyridin-4-one has a molecular weight of 191.99 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-1H-pyridin-4-one is sourced from PubChem (CID 57415770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).