lithium 5H-quinoxalin-5-ide

C8H5LiN2 — CID 87499320

IUPAClithium 5H-quinoxalin-5-ide
SMILES[Li+].[c-]1cccc2nccnc12
InChIInChI=1S/C8H5N2.Li/c1-2-4-8-7(3-1)9-5-6-10-8;/h1-3,5-6H;/q-1;+1
InChIKeyZPFNMYWSNGBLCE-UHFFFAOYSA-N
MW136.08 g/mol
LogP-1.57
Rot. Bonds

About lithium 5H-quinoxalin-5-ide

lithium 5H-quinoxalin-5-ide (PubChem CID 87499320) has the molecular formula C8H5LiN2 and a molecular weight of 136.08 g/mol. Its IUPAC name is lithium 5H-quinoxalin-5-ide.

Molecular Properties

Compound Namelithium 5H-quinoxalin-5-ide
PubChem CID87499320
Molecular FormulaC8H5LiN2
Molecular Weight136.08 g/mol
Exact Mass136.06
IUPAC Namelithium 5H-quinoxalin-5-ide
SMILES[Li+].[c-]1cccc2nccnc12
InChIInChI=1S/C8H5N2.Li/c1-2-4-8-7(3-1)9-5-6-10-8;/h1-3,5-6H;/q-1;+1
InChIKeyZPFNMYWSNGBLCE-UHFFFAOYSA-N
XLogP-1.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.08
LogP ≤ 5-1.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 5H-quinoxalin-5-ide?
The IUPAC name of lithium 5H-quinoxalin-5-ide (CID 87499320) is lithium 5H-quinoxalin-5-ide.
What is the SMILES notation for lithium 5H-quinoxalin-5-ide?
The canonical SMILES for lithium 5H-quinoxalin-5-ide is [Li+].[c-]1cccc2nccnc12.
What is the InChIKey of lithium 5H-quinoxalin-5-ide?
The InChIKey is ZPFNMYWSNGBLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N2.Li/c1-2-4-8-7(3-1)9-5-6-10-8;/h1-3,5-6H;/q-1;+1.
What are the key properties of lithium 5H-quinoxalin-5-ide?
lithium 5H-quinoxalin-5-ide has a molecular weight of 136.08 g/mol, XLogP of -1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5H-quinoxalin-5-ide is sourced from PubChem (CID 87499320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).