pyrazolo[1,5-a]pyridin-2-ylmethyl methanesulfonate

C9H10N2O3S — CID 86638087

IUPACpyrazolo[1,5-a]pyridin-2-ylmethyl methanesulfonate
SMILESCS(=O)(=O)OCc1cc2ccccn2n1
InChIInChI=1S/C9H10N2O3S/c1-15(12,13)14-7-8-6-9-4-2-3-5-11(9)10-8/h2-6H,7H2,1H3
InChIKeyKOYLVDSFPMUNHD-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.81
Rot. Bonds3

About pyrazolo[1,5-a]pyridin-2-ylmethyl methanesulfonate

pyrazolo[1,5-a]pyridin-2-ylmethyl methanesulfonate (PubChem CID 86638087) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyridin-2-ylmethyl methanesulfonate.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyridin-2-ylmethyl methanesulfonate
PubChem CID86638087
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Namepyrazolo[1,5-a]pyridin-2-ylmethyl methanesulfonate
SMILESCS(=O)(=O)OCc1cc2ccccn2n1
InChIInChI=1S/C9H10N2O3S/c1-15(12,13)14-7-8-6-9-4-2-3-5-11(9)10-8/h2-6H,7H2,1H3
InChIKeyKOYLVDSFPMUNHD-UHFFFAOYSA-N
XLogP0.81
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyridin-2-ylmethyl methanesulfonate?
The IUPAC name of pyrazolo[1,5-a]pyridin-2-ylmethyl methanesulfonate (CID 86638087) is pyrazolo[1,5-a]pyridin-2-ylmethyl methanesulfonate.
What is the SMILES notation for pyrazolo[1,5-a]pyridin-2-ylmethyl methanesulfonate?
The canonical SMILES for pyrazolo[1,5-a]pyridin-2-ylmethyl methanesulfonate is CS(=O)(=O)OCc1cc2ccccn2n1.
What is the InChIKey of pyrazolo[1,5-a]pyridin-2-ylmethyl methanesulfonate?
The InChIKey is KOYLVDSFPMUNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-15(12,13)14-7-8-6-9-4-2-3-5-11(9)10-8/h2-6H,7H2,1H3.
What are the key properties of pyrazolo[1,5-a]pyridin-2-ylmethyl methanesulfonate?
pyrazolo[1,5-a]pyridin-2-ylmethyl methanesulfonate has a molecular weight of 226.26 g/mol, XLogP of 0.81, 3 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-2-ylmethyl methanesulfonate is sourced from PubChem (CID 86638087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).