4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonic acid

C7H8F2N2O3S — CID 151906809

IUPAC4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonic acid
SMILESO=S(=O)(O)c1cnn2c1C(F)(F)CCC2
InChIInChI=1S/C7H8F2N2O3S/c8-7(9)2-1-3-11-6(7)5(4-10-11)15(12,13)14/h4H,1-3H2,(H,12,13,14)
InChIKeySTXKGXNMIKYLTF-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.02
Rot. Bonds1

About 4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonic acid

4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonic acid (PubChem CID 151906809) has the molecular formula C7H8F2N2O3S and a molecular weight of 238.21 g/mol. Its IUPAC name is 4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonic acid.

Molecular Properties

Compound Name4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonic acid
PubChem CID151906809
Molecular FormulaC7H8F2N2O3S
Molecular Weight238.21 g/mol
Exact Mass238.02
IUPAC Name4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonic acid
SMILESO=S(=O)(O)c1cnn2c1C(F)(F)CCC2
InChIInChI=1S/C7H8F2N2O3S/c8-7(9)2-1-3-11-6(7)5(4-10-11)15(12,13)14/h4H,1-3H2,(H,12,13,14)
InChIKeySTXKGXNMIKYLTF-UHFFFAOYSA-N
XLogP1.02
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonic acid?
The IUPAC name of 4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonic acid (CID 151906809) is 4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonic acid.
What is the SMILES notation for 4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonic acid?
The canonical SMILES for 4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonic acid is O=S(=O)(O)c1cnn2c1C(F)(F)CCC2.
What is the InChIKey of 4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonic acid?
The InChIKey is STXKGXNMIKYLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O3S/c8-7(9)2-1-3-11-6(7)5(4-10-11)15(12,13)14/h4H,1-3H2,(H,12,13,14).
What are the key properties of 4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonic acid?
4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonic acid has a molecular weight of 238.21 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-sulfonic acid is sourced from PubChem (CID 151906809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).