lithium 2-pyrazin-2-ylacetate

C6H5LiN2O2 — CID 91654537

IUPAClithium 2-pyrazin-2-ylacetate
SMILESO=C([O-])Cc1cnccn1.[Li+]
InChIInChI=1S/C6H6N2O2.Li/c9-6(10)3-5-4-7-1-2-8-5;/h1-2,4H,3H2,(H,9,10);/q;+1/p-1
InChIKeyWDCDXICBVYOSMA-UHFFFAOYSA-M
MW144.06 g/mol
LogP-4.23
Rot. Bonds2

About lithium 2-pyrazin-2-ylacetate

lithium 2-pyrazin-2-ylacetate (PubChem CID 91654537) has the molecular formula C6H5LiN2O2 and a molecular weight of 144.06 g/mol. Its IUPAC name is lithium 2-pyrazin-2-ylacetate.

Molecular Properties

Compound Namelithium 2-pyrazin-2-ylacetate
PubChem CID91654537
Molecular FormulaC6H5LiN2O2
Molecular Weight144.06 g/mol
Exact Mass144.05
IUPAC Namelithium 2-pyrazin-2-ylacetate
SMILESO=C([O-])Cc1cnccn1.[Li+]
InChIInChI=1S/C6H6N2O2.Li/c9-6(10)3-5-4-7-1-2-8-5;/h1-2,4H,3H2,(H,9,10);/q;+1/p-1
InChIKeyWDCDXICBVYOSMA-UHFFFAOYSA-M
XLogP-4.23
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.06
LogP ≤ 5-4.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 2-pyrazin-2-ylacetate?
The IUPAC name of lithium 2-pyrazin-2-ylacetate (CID 91654537) is lithium 2-pyrazin-2-ylacetate.
What is the SMILES notation for lithium 2-pyrazin-2-ylacetate?
The canonical SMILES for lithium 2-pyrazin-2-ylacetate is O=C([O-])Cc1cnccn1.[Li+].
What is the InChIKey of lithium 2-pyrazin-2-ylacetate?
The InChIKey is WDCDXICBVYOSMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N2O2.Li/c9-6(10)3-5-4-7-1-2-8-5;/h1-2,4H,3H2,(H,9,10);/q;+1/p-1.
What are the key properties of lithium 2-pyrazin-2-ylacetate?
lithium 2-pyrazin-2-ylacetate has a molecular weight of 144.06 g/mol, XLogP of -4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-pyrazin-2-ylacetate is sourced from PubChem (CID 91654537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).