4-bromo-5-fluoro-1H-pyridin-2-one

C5H3BrFNO — CID 26746984

IUPAC4-bromo-5-fluoro-1H-pyridin-2-one
SMILESO=c1cc(Br)c(F)c[nH]1
InChIInChI=1S/C5H3BrFNO/c6-3-1-5(9)8-2-4(3)7/h1-2H,(H,8,9)
InChIKeyJKVHUEUQXAQBQR-UHFFFAOYSA-N
MW191.99 g/mol
LogP1.28
Rot. Bonds

About 4-bromo-5-fluoro-1H-pyridin-2-one

4-bromo-5-fluoro-1H-pyridin-2-one (PubChem CID 26746984) has the molecular formula C5H3BrFNO and a molecular weight of 191.99 g/mol. Its IUPAC name is 4-bromo-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-5-fluoro-1H-pyridin-2-one
PubChem CID26746984
Molecular FormulaC5H3BrFNO
Molecular Weight191.99 g/mol
Exact Mass190.94
IUPAC Name4-bromo-5-fluoro-1H-pyridin-2-one
SMILESO=c1cc(Br)c(F)c[nH]1
InChIInChI=1S/C5H3BrFNO/c6-3-1-5(9)8-2-4(3)7/h1-2H,(H,8,9)
InChIKeyJKVHUEUQXAQBQR-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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-bromo-5-fluoro-1H-pyridin-2-one (CID 26746984) is 4-bromo-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-5-fluoro-1H-pyridin-2-one is O=c1cc(Br)c(F)c[nH]1.
What is the InChIKey of 4-bromo-5-fluoro-1H-pyridin-2-one?
The InChIKey is JKVHUEUQXAQBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrFNO/c6-3-1-5(9)8-2-4(3)7/h1-2H,(H,8,9).
What are the key properties of 4-bromo-5-fluoro-1H-pyridin-2-one?
4-bromo-5-fluoro-1H-pyridin-2-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 4-bromo-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 26746984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).