pyridine;1,1,2,2-tetrafluoroethanesulfonic acid

C7H7F4NO3S — CID 161024993

IUPACpyridine;1,1,2,2-tetrafluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)F.c1ccncc1
InChIInChI=1S/C5H5N.C2H2F4O3S/c1-2-4-6-5-3-1;3-1(4)2(5,6)10(7,8)9/h1-5H;1H,(H,7,8,9)
InChIKeyTYWBQDXFYZUNHV-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.81
Rot. Bonds2

About pyridine;1,1,2,2-tetrafluoroethanesulfonic acid

pyridine;1,1,2,2-tetrafluoroethanesulfonic acid (PubChem CID 161024993) has the molecular formula C7H7F4NO3S and a molecular weight of 261.20 g/mol. Its IUPAC name is pyridine;1,1,2,2-tetrafluoroethanesulfonic acid.

Molecular Properties

Compound Namepyridine;1,1,2,2-tetrafluoroethanesulfonic acid
PubChem CID161024993
Molecular FormulaC7H7F4NO3S
Molecular Weight261.20 g/mol
Exact Mass261.01
IUPAC Namepyridine;1,1,2,2-tetrafluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)F.c1ccncc1
InChIInChI=1S/C5H5N.C2H2F4O3S/c1-2-4-6-5-3-1;3-1(4)2(5,6)10(7,8)9/h1-5H;1H,(H,7,8,9)
InChIKeyTYWBQDXFYZUNHV-UHFFFAOYSA-N
XLogP1.81
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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bis(pyridine);sulfuric acid
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pyridine;sulfuric acid;dihydrobromide
CID 66601597
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1-ethylimidazole;1,1,2,2-tetrafluoroethanesulfonic acid
CID 171923668
1,1,5,5,5-pentafluoropentane-1-sulfonic acid;pyridine
CID 171924657
benzene;trifluoromethanesulfonic acid
CID 87157881
pyridine;1,11,11,11-tetrafluoroundecane-1-sulfonic acid
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Frequently Asked Questions

What is the IUPAC name of pyridine;1,1,2,2-tetrafluoroethanesulfonic acid?
The IUPAC name of pyridine;1,1,2,2-tetrafluoroethanesulfonic acid (CID 161024993) is pyridine;1,1,2,2-tetrafluoroethanesulfonic acid.
What is the SMILES notation for pyridine;1,1,2,2-tetrafluoroethanesulfonic acid?
The canonical SMILES for pyridine;1,1,2,2-tetrafluoroethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)F.c1ccncc1.
What is the InChIKey of pyridine;1,1,2,2-tetrafluoroethanesulfonic acid?
The InChIKey is TYWBQDXFYZUNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C2H2F4O3S/c1-2-4-6-5-3-1;3-1(4)2(5,6)10(7,8)9/h1-5H;1H,(H,7,8,9).
What are the key properties of pyridine;1,1,2,2-tetrafluoroethanesulfonic acid?
pyridine;1,1,2,2-tetrafluoroethanesulfonic acid has a molecular weight of 261.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;1,1,2,2-tetrafluoroethanesulfonic acid is sourced from PubChem (CID 161024993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).