sodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate

C16H10NNaO5 — CID 23704767

IUPACsodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate
SMILESO=C([O-])COc1ccc2c(=O)c(-c3ccccn3)coc2c1.[Na+]
InChIInChI=1S/C16H11NO5.Na/c18-15(19)9-21-10-4-5-11-14(7-10)22-8-12(16(11)20)13-3-1-2-6-17-13;/h1-8H,9H2,(H,18,19);/q;+1/p-1
InChIKeyKHZAWMILPOPRSQ-UHFFFAOYSA-M
MW319.25 g/mol
LogP-2.01
Rot. Bonds4

About sodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate

sodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate (PubChem CID 23704767) has the molecular formula C16H10NNaO5 and a molecular weight of 319.25 g/mol. Its IUPAC name is sodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate.

Molecular Properties

Compound Namesodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate
PubChem CID23704767
Molecular FormulaC16H10NNaO5
Molecular Weight319.25 g/mol
Exact Mass319.05
IUPAC Namesodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate
SMILESO=C([O-])COc1ccc2c(=O)c(-c3ccccn3)coc2c1.[Na+]
InChIInChI=1S/C16H11NO5.Na/c18-15(19)9-21-10-4-5-11-14(7-10)22-8-12(16(11)20)13-3-1-2-6-17-13;/h1-8H,9H2,(H,18,19);/q;+1/p-1
InChIKeyKHZAWMILPOPRSQ-UHFFFAOYSA-M
XLogP-2.01
TPSA92.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 5-2.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze sodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate 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-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate?
The IUPAC name of sodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate (CID 23704767) is sodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate.
What is the SMILES notation for sodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate?
The canonical SMILES for sodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate is O=C([O-])COc1ccc2c(=O)c(-c3ccccn3)coc2c1.[Na+].
What is the InChIKey of sodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate?
The InChIKey is KHZAWMILPOPRSQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H11NO5.Na/c18-15(19)9-21-10-4-5-11-14(7-10)22-8-12(16(11)20)13-3-1-2-6-17-13;/h1-8H,9H2,(H,18,19);/q;+1/p-1.
What are the key properties of sodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate?
sodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate has a molecular weight of 319.25 g/mol, XLogP of -2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(4-oxo-3-pyridin-2-ylchromen-7-yl)oxyacetate is sourced from PubChem (CID 23704767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).