lithium 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

C9H5LiN2O3 — CID 155167560

IUPAClithium 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESO=C([O-])c1cc(=O)n2ccccc2n1.[Li+]
InChIInChI=1S/C9H6N2O3.Li/c12-8-5-6(9(13)14)10-7-3-1-2-4-11(7)8;/h1-5H,(H,13,14);/q;+1/p-1
InChIKeyVXGGXFKYEVFDIK-UHFFFAOYSA-M
MW196.09 g/mol
LogP-3.94
Rot. Bonds1

About lithium 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

lithium 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 155167560) has the molecular formula C9H5LiN2O3 and a molecular weight of 196.09 g/mol. Its IUPAC name is lithium 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namelithium 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID155167560
Molecular FormulaC9H5LiN2O3
Molecular Weight196.09 g/mol
Exact Mass196.05
IUPAC Namelithium 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESO=C([O-])c1cc(=O)n2ccccc2n1.[Li+]
InChIInChI=1S/C9H6N2O3.Li/c12-8-5-6(9(13)14)10-7-3-1-2-4-11(7)8;/h1-5H,(H,13,14);/q;+1/p-1
InChIKeyVXGGXFKYEVFDIK-UHFFFAOYSA-M
XLogP-3.94
TPSA74.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 5-3.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of lithium 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (CID 155167560) is lithium 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for lithium 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for lithium 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is O=C([O-])c1cc(=O)n2ccccc2n1.[Li+].
What is the InChIKey of lithium 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is VXGGXFKYEVFDIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6N2O3.Li/c12-8-5-6(9(13)14)10-7-3-1-2-4-11(7)8;/h1-5H,(H,13,14);/q;+1/p-1.
What are the key properties of lithium 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
lithium 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 196.09 g/mol, XLogP of -3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 155167560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).