4-fluoro-3-(sulfinatoamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C7H9FN3O2S- — CID 153278069

IUPAC4-fluoro-3-(sulfinatoamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESO=S([O-])Nc1cnn2c1C(F)CCC2
InChIInChI=1S/C7H10FN3O2S/c8-5-2-1-3-11-7(5)6(4-9-11)10-14(12)13/h4-5,10H,1-3H2,(H,12,13)/p-1
InChIKeyXTRCBWFSADQLBW-UHFFFAOYSA-M
MW218.23 g/mol
LogP0.89
Rot. Bonds2

About 4-fluoro-3-(sulfinatoamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

4-fluoro-3-(sulfinatoamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 153278069) has the molecular formula C7H9FN3O2S- and a molecular weight of 218.23 g/mol. Its IUPAC name is 4-fluoro-3-(sulfinatoamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-fluoro-3-(sulfinatoamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID153278069
Molecular FormulaC7H9FN3O2S-
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC Name4-fluoro-3-(sulfinatoamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESO=S([O-])Nc1cnn2c1C(F)CCC2
InChIInChI=1S/C7H10FN3O2S/c8-5-2-1-3-11-7(5)6(4-9-11)10-14(12)13/h4-5,10H,1-3H2,(H,12,13)/p-1
InChIKeyXTRCBWFSADQLBW-UHFFFAOYSA-M
XLogP0.89
TPSA69.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(sulfinatoamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 4-fluoro-3-(sulfinatoamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 153278069) is 4-fluoro-3-(sulfinatoamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 4-fluoro-3-(sulfinatoamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 4-fluoro-3-(sulfinatoamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is O=S([O-])Nc1cnn2c1C(F)CCC2.
What is the InChIKey of 4-fluoro-3-(sulfinatoamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is XTRCBWFSADQLBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10FN3O2S/c8-5-2-1-3-11-7(5)6(4-9-11)10-14(12)13/h4-5,10H,1-3H2,(H,12,13)/p-1.
What are the key properties of 4-fluoro-3-(sulfinatoamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
4-fluoro-3-(sulfinatoamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 218.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(sulfinatoamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 153278069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).