5-oxo-2-pyridin-2-ylpyrazolidine-3-carboxylate

C9H8N3O3- — CID 22280360

IUPAC5-oxo-2-pyridin-2-ylpyrazolidine-3-carboxylate
SMILESO=C1CC(C(=O)[O-])N(c2ccccn2)N1
InChIInChI=1S/C9H9N3O3/c13-8-5-6(9(14)15)12(11-8)7-3-1-2-4-10-7/h1-4,6H,5H2,(H,11,13)(H,14,15)/p-1
InChIKeyQMVFQIPHIJJDMB-UHFFFAOYSA-M
MW206.18 g/mol
LogP-1.56
Rot. Bonds2

About 5-oxo-2-pyridin-2-ylpyrazolidine-3-carboxylate

5-oxo-2-pyridin-2-ylpyrazolidine-3-carboxylate (PubChem CID 22280360) has the molecular formula C9H8N3O3- and a molecular weight of 206.18 g/mol. Its IUPAC name is 5-oxo-2-pyridin-2-ylpyrazolidine-3-carboxylate.

Molecular Properties

Compound Name5-oxo-2-pyridin-2-ylpyrazolidine-3-carboxylate
PubChem CID22280360
Molecular FormulaC9H8N3O3-
Molecular Weight206.18 g/mol
Exact Mass206.06
IUPAC Name5-oxo-2-pyridin-2-ylpyrazolidine-3-carboxylate
SMILESO=C1CC(C(=O)[O-])N(c2ccccn2)N1
InChIInChI=1S/C9H9N3O3/c13-8-5-6(9(14)15)12(11-8)7-3-1-2-4-10-7/h1-4,6H,5H2,(H,11,13)(H,14,15)/p-1
InChIKeyQMVFQIPHIJJDMB-UHFFFAOYSA-M
XLogP-1.56
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-pyridin-2-ylpyrazolidine-3-carboxylate?
The IUPAC name of 5-oxo-2-pyridin-2-ylpyrazolidine-3-carboxylate (CID 22280360) is 5-oxo-2-pyridin-2-ylpyrazolidine-3-carboxylate.
What is the SMILES notation for 5-oxo-2-pyridin-2-ylpyrazolidine-3-carboxylate?
The canonical SMILES for 5-oxo-2-pyridin-2-ylpyrazolidine-3-carboxylate is O=C1CC(C(=O)[O-])N(c2ccccn2)N1.
What is the InChIKey of 5-oxo-2-pyridin-2-ylpyrazolidine-3-carboxylate?
The InChIKey is QMVFQIPHIJJDMB-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9N3O3/c13-8-5-6(9(14)15)12(11-8)7-3-1-2-4-10-7/h1-4,6H,5H2,(H,11,13)(H,14,15)/p-1.
What are the key properties of 5-oxo-2-pyridin-2-ylpyrazolidine-3-carboxylate?
5-oxo-2-pyridin-2-ylpyrazolidine-3-carboxylate has a molecular weight of 206.18 g/mol, XLogP of -1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-pyridin-2-ylpyrazolidine-3-carboxylate is sourced from PubChem (CID 22280360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).