5-bromo-6-oxo-1H-pyridine-3-sulfonyl fluoride

C5H3BrFNO3S — CID 166000288

IUPAC5-bromo-6-oxo-1H-pyridine-3-sulfonyl fluoride
SMILESO=c1[nH]cc(S(=O)(=O)F)cc1Br
InChIInChI=1S/C5H3BrFNO3S/c6-4-1-3(12(7,10)11)2-8-5(4)9/h1-2H,(H,8,9)
InChIKeyOMWZMVCYBBFOJO-UHFFFAOYSA-N
MW256.05 g/mol
LogP0.80
Rot. Bonds1

About 5-bromo-6-oxo-1H-pyridine-3-sulfonyl fluoride

5-bromo-6-oxo-1H-pyridine-3-sulfonyl fluoride (PubChem CID 166000288) has the molecular formula C5H3BrFNO3S and a molecular weight of 256.05 g/mol. Its IUPAC name is 5-bromo-6-oxo-1H-pyridine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-bromo-6-oxo-1H-pyridine-3-sulfonyl fluoride
PubChem CID166000288
Molecular FormulaC5H3BrFNO3S
Molecular Weight256.05 g/mol
Exact Mass254.90
IUPAC Name5-bromo-6-oxo-1H-pyridine-3-sulfonyl fluoride
SMILESO=c1[nH]cc(S(=O)(=O)F)cc1Br
InChIInChI=1S/C5H3BrFNO3S/c6-4-1-3(12(7,10)11)2-8-5(4)9/h1-2H,(H,8,9)
InChIKeyOMWZMVCYBBFOJO-UHFFFAOYSA-N
XLogP0.80
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.05
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-oxo-1H-pyridine-3-sulfonyl fluoride?
The IUPAC name of 5-bromo-6-oxo-1H-pyridine-3-sulfonyl fluoride (CID 166000288) is 5-bromo-6-oxo-1H-pyridine-3-sulfonyl fluoride.
What is the SMILES notation for 5-bromo-6-oxo-1H-pyridine-3-sulfonyl fluoride?
The canonical SMILES for 5-bromo-6-oxo-1H-pyridine-3-sulfonyl fluoride is O=c1[nH]cc(S(=O)(=O)F)cc1Br.
What is the InChIKey of 5-bromo-6-oxo-1H-pyridine-3-sulfonyl fluoride?
The InChIKey is OMWZMVCYBBFOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrFNO3S/c6-4-1-3(12(7,10)11)2-8-5(4)9/h1-2H,(H,8,9).
What are the key properties of 5-bromo-6-oxo-1H-pyridine-3-sulfonyl fluoride?
5-bromo-6-oxo-1H-pyridine-3-sulfonyl fluoride has a molecular weight of 256.05 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-oxo-1H-pyridine-3-sulfonyl fluoride is sourced from PubChem (CID 166000288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).