2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate

C7H4NO4- — CID 7220786

IUPAC2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate
SMILESO=C([O-])C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C7H5NO4/c9-5(7(11)12)4-2-1-3-8-6(4)10/h1-3H,(H,8,10)(H,11,12)/p-1
InChIKeyXOSBDMPMOZTAIF-UHFFFAOYSA-M
MW166.11 g/mol
LogP-1.69
Rot. Bonds2

About 2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate

2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate (PubChem CID 7220786) has the molecular formula C7H4NO4- and a molecular weight of 166.11 g/mol. Its IUPAC name is 2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate.

Molecular Properties

Compound Name2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate
PubChem CID7220786
Molecular FormulaC7H4NO4-
Molecular Weight166.11 g/mol
Exact Mass166.01
IUPAC Name2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate
SMILESO=C([O-])C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C7H5NO4/c9-5(7(11)12)4-2-1-3-8-6(4)10/h1-3H,(H,8,10)(H,11,12)/p-1
InChIKeyXOSBDMPMOZTAIF-UHFFFAOYSA-M
XLogP-1.69
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate?
The IUPAC name of 2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate (CID 7220786) is 2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate.
What is the SMILES notation for 2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate?
The canonical SMILES for 2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate is O=C([O-])C(=O)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate?
The InChIKey is XOSBDMPMOZTAIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5NO4/c9-5(7(11)12)4-2-1-3-8-6(4)10/h1-3H,(H,8,10)(H,11,12)/p-1.
What are the key properties of 2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate?
2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate has a molecular weight of 166.11 g/mol, XLogP of -1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2-oxo-1H-pyridin-3-yl)acetate is sourced from PubChem (CID 7220786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).