(2-ethylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate

C10H9F3N2O3S — CID 121216030

IUPAC(2-ethylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
SMILESCCc1cc2c(OS(=O)(=O)C(F)(F)F)cccn2n1
InChIInChI=1S/C10H9F3N2O3S/c1-2-7-6-8-9(4-3-5-15(8)14-7)18-19(16,17)10(11,12)13/h3-6H,2H2,1H3
InChIKeyROSSVYZHRMAYBU-UHFFFAOYSA-N
MW294.25 g/mol
LogP2.13
Rot. Bonds3

About (2-ethylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate

(2-ethylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate (PubChem CID 121216030) has the molecular formula C10H9F3N2O3S and a molecular weight of 294.25 g/mol. Its IUPAC name is (2-ethylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(2-ethylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
PubChem CID121216030
Molecular FormulaC10H9F3N2O3S
Molecular Weight294.25 g/mol
Exact Mass294.03
IUPAC Name(2-ethylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate
SMILESCCc1cc2c(OS(=O)(=O)C(F)(F)F)cccn2n1
InChIInChI=1S/C10H9F3N2O3S/c1-2-7-6-8-9(4-3-5-15(8)14-7)18-19(16,17)10(11,12)13/h3-6H,2H2,1H3
InChIKeyROSSVYZHRMAYBU-UHFFFAOYSA-N
XLogP2.13
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 52.13
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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Related Compounds

Phenyl 5-methyl-3-pyridin-2-ylpyrazole-1-sulfonate
CID 164627153
Pyrazolo(1,5-a)pyridin-4-ol
CID 15257896
Pyrazolo[1,5-a]pyridin-3-ol
CID 15257903
4-Methoxypyrazolo(1,5-a)pyridine
CID 123609180
Pyrazolo[1,5-a]pyridin-2-yl trifluoromethanesulfonate
CID 134860546
6-(1,1-difluoro-2-(1H-pyrazol-1-yl)ethyl)pyridin-3-ol
CID 138991109
Indolizine triflate
CID 129874611
trifluoro-methanesulfonic acid 2-ethyl-5-pyridin-2-yl-2H-pyrazol-3-yl ester
CID 58200532
(2-Ethyl-5-pyridin-4-ylpyrazol-3-yl) trifluoromethanesulfonate
CID 58200545
trifluoro-methanesulfonic acid 2-methyl-5-pyridin-4-yl-2H-pyrazol-3-yl ester
CID 58200594
Pyrazolo[1,5-a]pyridin-6-yl trifluoromethanesulfonate
CID 58316721
[5-(2,3-Dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate
CID 58941537

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate?
The IUPAC name of (2-ethylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate (CID 121216030) is (2-ethylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate.
What is the SMILES notation for (2-ethylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate?
The canonical SMILES for (2-ethylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate is CCc1cc2c(OS(=O)(=O)C(F)(F)F)cccn2n1.
What is the InChIKey of (2-ethylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate?
The InChIKey is ROSSVYZHRMAYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3S/c1-2-7-6-8-9(4-3-5-15(8)14-7)18-19(16,17)10(11,12)13/h3-6H,2H2,1H3.
What are the key properties of (2-ethylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate?
(2-ethylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate has a molecular weight of 294.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate is sourced from PubChem (CID 121216030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).