sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate

C10H9N2NaO5 — CID 91886851

IUPACsodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCC(C(=O)[O-])C2=O.[Na+]
InChIInChI=1S/C10H10N2O5.Na/c1-17-10(16)6-4-7-8(13)5(9(14)15)2-3-12(7)11-6;/h4-5H,2-3H2,1H3,(H,14,15);/q;+1/p-1
InChIKeyVQEULRNMVAVGHA-UHFFFAOYSA-M
MW260.18 g/mol
LogP-4.37
Rot. Bonds2

About sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate

sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 91886851) has the molecular formula C10H9N2NaO5 and a molecular weight of 260.18 g/mol. Its IUPAC name is sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namesodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate
PubChem CID91886851
Molecular FormulaC10H9N2NaO5
Molecular Weight260.18 g/mol
Exact Mass260.04
IUPAC Namesodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCC(C(=O)[O-])C2=O.[Na+]
InChIInChI=1S/C10H10N2O5.Na/c1-17-10(16)6-4-7-8(13)5(9(14)15)2-3-12(7)11-6;/h4-5H,2-3H2,1H3,(H,14,15);/q;+1/p-1
InChIKeyVQEULRNMVAVGHA-UHFFFAOYSA-M
XLogP-4.37
TPSA101.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 5-4.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate (CID 91886851) is sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cc2n(n1)CCC(C(=O)[O-])C2=O.[Na+].
What is the InChIKey of sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is VQEULRNMVAVGHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N2O5.Na/c1-17-10(16)6-4-7-8(13)5(9(14)15)2-3-12(7)11-6;/h4-5H,2-3H2,1H3,(H,14,15);/q;+1/p-1.
What are the key properties of sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate?
sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 260.18 g/mol, XLogP of -4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 91886851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).