(2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate

C10H8F4N2O3S — CID 59389277

IUPAC(2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
SMILESCCc1cc2c(OS(=O)(=O)C(F)(F)F)cc(F)cn2n1
InChIInChI=1S/C10H8F4N2O3S/c1-2-7-4-8-9(3-6(11)5-16(8)15-7)19-20(17,18)10(12,13)14/h3-5H,2H2,1H3
InChIKeyJBBZYRYRGDAQRA-UHFFFAOYSA-N
MW312.24 g/mol
LogP2.26
Rot. Bonds3

About (2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate

(2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate (PubChem CID 59389277) has the molecular formula C10H8F4N2O3S and a molecular weight of 312.24 g/mol. Its IUPAC name is (2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
PubChem CID59389277
Molecular FormulaC10H8F4N2O3S
Molecular Weight312.24 g/mol
Exact Mass312.02
IUPAC Name(2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
SMILESCCc1cc2c(OS(=O)(=O)C(F)(F)F)cc(F)cn2n1
InChIInChI=1S/C10H8F4N2O3S/c1-2-7-4-8-9(3-6(11)5-16(8)15-7)19-20(17,18)10(12,13)14/h3-5H,2H2,1H3
InChIKeyJBBZYRYRGDAQRA-UHFFFAOYSA-N
XLogP2.26
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 52.26
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 (2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate?
The IUPAC name of (2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate (CID 59389277) is (2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate.
What is the SMILES notation for (2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate?
The canonical SMILES for (2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate is CCc1cc2c(OS(=O)(=O)C(F)(F)F)cc(F)cn2n1.
What is the InChIKey of (2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate?
The InChIKey is JBBZYRYRGDAQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O3S/c1-2-7-4-8-9(3-6(11)5-16(8)15-7)19-20(17,18)10(12,13)14/h3-5H,2H2,1H3.
What are the key properties of (2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate?
(2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate has a molecular weight of 312.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate is sourced from PubChem (CID 59389277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).