(3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate

C9H4F3N3O3S — CID 172794526

IUPAC(3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
SMILESN#Cc1cnn2cccc(OS(=O)(=O)C(F)(F)F)c12
InChIInChI=1S/C9H4F3N3O3S/c10-9(11,12)19(16,17)18-7-2-1-3-15-8(7)6(4-13)5-14-15/h1-3,5H
InChIKeyQACZZHKDCMBMMS-UHFFFAOYSA-N
MW291.21 g/mol
LogP1.43
Rot. Bonds2

About (3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate

(3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate (PubChem CID 172794526) has the molecular formula C9H4F3N3O3S and a molecular weight of 291.21 g/mol. Its IUPAC name is (3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
PubChem CID172794526
Molecular FormulaC9H4F3N3O3S
Molecular Weight291.21 g/mol
Exact Mass290.99
IUPAC Name(3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
SMILESN#Cc1cnn2cccc(OS(=O)(=O)C(F)(F)F)c12
InChIInChI=1S/C9H4F3N3O3S/c10-9(11,12)19(16,17)18-7-2-1-3-15-8(7)6(4-13)5-14-15/h1-3,5H
InChIKeyQACZZHKDCMBMMS-UHFFFAOYSA-N
XLogP1.43
TPSA84.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate?
The IUPAC name of (3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate (CID 172794526) is (3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate.
What is the SMILES notation for (3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate?
The canonical SMILES for (3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate is N#Cc1cnn2cccc(OS(=O)(=O)C(F)(F)F)c12.
What is the InChIKey of (3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate?
The InChIKey is QACZZHKDCMBMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N3O3S/c10-9(11,12)19(16,17)18-7-2-1-3-15-8(7)6(4-13)5-14-15/h1-3,5H.
What are the key properties of (3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate?
(3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate has a molecular weight of 291.21 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanopyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate is sourced from PubChem (CID 172794526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).