pyrazolo[1,5-a]pyridin-4-yl trifluoromethanesulfonate

C8H5F3N2O3S — CID 87496568

IUPACpyrazolo[1,5-a]pyridin-4-yl trifluoromethanesulfonate
SMILESO=S(=O)(Oc1cccn2nccc12)C(F)(F)F
InChIInChI=1S/C8H5F3N2O3S/c9-8(10,11)17(14,15)16-7-2-1-5-13-6(7)3-4-12-13/h1-5H
InChIKeyXDYFCWBUQYRQOG-UHFFFAOYSA-N
MW266.20 g/mol
LogP1.56
Rot. Bonds2

About pyrazolo[1,5-a]pyridin-4-yl trifluoromethanesulfonate

pyrazolo[1,5-a]pyridin-4-yl trifluoromethanesulfonate (PubChem CID 87496568) has the molecular formula C8H5F3N2O3S and a molecular weight of 266.20 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyridin-4-yl trifluoromethanesulfonate.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyridin-4-yl trifluoromethanesulfonate
PubChem CID87496568
Molecular FormulaC8H5F3N2O3S
Molecular Weight266.20 g/mol
Exact Mass266.00
IUPAC Namepyrazolo[1,5-a]pyridin-4-yl trifluoromethanesulfonate
SMILESO=S(=O)(Oc1cccn2nccc12)C(F)(F)F
InChIInChI=1S/C8H5F3N2O3S/c9-8(10,11)17(14,15)16-7-2-1-5-13-6(7)3-4-12-13/h1-5H
InChIKeyXDYFCWBUQYRQOG-UHFFFAOYSA-N
XLogP1.56
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyridin-4-yl trifluoromethanesulfonate?
The IUPAC name of pyrazolo[1,5-a]pyridin-4-yl trifluoromethanesulfonate (CID 87496568) is pyrazolo[1,5-a]pyridin-4-yl trifluoromethanesulfonate.
What is the SMILES notation for pyrazolo[1,5-a]pyridin-4-yl trifluoromethanesulfonate?
The canonical SMILES for pyrazolo[1,5-a]pyridin-4-yl trifluoromethanesulfonate is O=S(=O)(Oc1cccn2nccc12)C(F)(F)F.
What is the InChIKey of pyrazolo[1,5-a]pyridin-4-yl trifluoromethanesulfonate?
The InChIKey is XDYFCWBUQYRQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O3S/c9-8(10,11)17(14,15)16-7-2-1-5-13-6(7)3-4-12-13/h1-5H.
What are the key properties of pyrazolo[1,5-a]pyridin-4-yl trifluoromethanesulfonate?
pyrazolo[1,5-a]pyridin-4-yl trifluoromethanesulfonate has a molecular weight of 266.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyridin-4-yl trifluoromethanesulfonate is sourced from PubChem (CID 87496568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).