methyl 7-methoxy-5-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate

C11H9F3N2O6S — CID 123807722

IUPACmethyl 7-methoxy-5-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(OS(=O)(=O)C(F)(F)F)cc(OC)n2n1
InChIInChI=1S/C11H9F3N2O6S/c1-20-9-5-7(22-23(18,19)11(12,13)14)3-6-4-8(10(17)21-2)15-16(6)9/h3-5H,1-2H3
InChIKeyFXVFDUFGMRTKGH-UHFFFAOYSA-N
MW354.26 g/mol
LogP1.36
Rot. Bonds4

About methyl 7-methoxy-5-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate

methyl 7-methoxy-5-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 123807722) has the molecular formula C11H9F3N2O6S and a molecular weight of 354.26 g/mol. Its IUPAC name is methyl 7-methoxy-5-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-5-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate
PubChem CID123807722
Molecular FormulaC11H9F3N2O6S
Molecular Weight354.26 g/mol
Exact Mass354.01
IUPAC Namemethyl 7-methoxy-5-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2cc(OS(=O)(=O)C(F)(F)F)cc(OC)n2n1
InChIInChI=1S/C11H9F3N2O6S/c1-20-9-5-7(22-23(18,19)11(12,13)14)3-6-4-8(10(17)21-2)15-16(6)9/h3-5H,1-2H3
InChIKeyFXVFDUFGMRTKGH-UHFFFAOYSA-N
XLogP1.36
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

dimethyl 4-(trifluoromethylsulfonyloxy)pyridine-2,6-dicarboxylate
CID 10712378
5-methoxy-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 67112344
[2-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl] trifluoromethanesulfonate
CID 87313968
[3,5-bis(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
CID 19421193
dimethyl 4,6-dimethoxy-2-(trifluoromethylsulfonyloxy)benzene-1,3-dicarboxylate
CID 11974867
[3-methyl-5-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
CID 87426255
methyl 7-methyl-3-(trifluoromethylsulfonyloxy)naphthalene-2-carboxylate
CID 121442605
methyl 2-(trifluoromethylsulfonyloxy)pyridine-4-carboxylate
CID 176901166
methyl 3-(trifluoromethylsulfonyloxy)pyridine-4-carboxylate
CID 139986316
methyl 4-methyl-3-(trifluoromethylsulfonyloxy)benzoate
CID 19034158
methyl 5-fluorosulfonyl-1-propan-2-ylpyrazole-3-carboxylate
CID 165460531
[3,5-bis(methoxymethyl)phenyl] trifluoromethanesulfonate
CID 22933110

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-5-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of methyl 7-methoxy-5-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate (CID 123807722) is methyl 7-methoxy-5-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 7-methoxy-5-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 7-methoxy-5-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate is COC(=O)c1cc2cc(OS(=O)(=O)C(F)(F)F)cc(OC)n2n1.
What is the InChIKey of methyl 7-methoxy-5-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is FXVFDUFGMRTKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O6S/c1-20-9-5-7(22-23(18,19)11(12,13)14)3-6-4-8(10(17)21-2)15-16(6)9/h3-5H,1-2H3.
What are the key properties of methyl 7-methoxy-5-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate?
methyl 7-methoxy-5-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 354.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-5-(trifluoromethylsulfonyloxy)pyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 123807722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).