lithium 2H-pyridin-2-ide-3-carboxylic acid

C6H4LiNO2 — CID 87944914

IUPAClithium 2H-pyridin-2-ide-3-carboxylic acid
SMILESO=C(O)c1[c-]nccc1.[Li+]
InChIInChI=1S/C6H4NO2.Li/c8-6(9)5-2-1-3-7-4-5;/h1-3H,(H,8,9);/q-1;+1
InChIKeyNBSXGYFLXWLCKW-UHFFFAOYSA-N
MW129.04 g/mol
LogP-2.42
Rot. Bonds1

About lithium 2H-pyridin-2-ide-3-carboxylic acid

lithium 2H-pyridin-2-ide-3-carboxylic acid (PubChem CID 87944914) has the molecular formula C6H4LiNO2 and a molecular weight of 129.04 g/mol. Its IUPAC name is lithium 2H-pyridin-2-ide-3-carboxylic acid.

Molecular Properties

Compound Namelithium 2H-pyridin-2-ide-3-carboxylic acid
PubChem CID87944914
Molecular FormulaC6H4LiNO2
Molecular Weight129.04 g/mol
Exact Mass129.04
IUPAC Namelithium 2H-pyridin-2-ide-3-carboxylic acid
SMILESO=C(O)c1[c-]nccc1.[Li+]
InChIInChI=1S/C6H4NO2.Li/c8-6(9)5-2-1-3-7-4-5;/h1-3H,(H,8,9);/q-1;+1
InChIKeyNBSXGYFLXWLCKW-UHFFFAOYSA-N
XLogP-2.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.04
LogP ≤ 5-2.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium 2H-pyridin-2-ide-3-carboxylic acid 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 lithium 2H-pyridin-2-ide-3-carboxylic acid?
The IUPAC name of lithium 2H-pyridin-2-ide-3-carboxylic acid (CID 87944914) is lithium 2H-pyridin-2-ide-3-carboxylic acid.
What is the SMILES notation for lithium 2H-pyridin-2-ide-3-carboxylic acid?
The canonical SMILES for lithium 2H-pyridin-2-ide-3-carboxylic acid is O=C(O)c1[c-]nccc1.[Li+].
What is the InChIKey of lithium 2H-pyridin-2-ide-3-carboxylic acid?
The InChIKey is NBSXGYFLXWLCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4NO2.Li/c8-6(9)5-2-1-3-7-4-5;/h1-3H,(H,8,9);/q-1;+1.
What are the key properties of lithium 2H-pyridin-2-ide-3-carboxylic acid?
lithium 2H-pyridin-2-ide-3-carboxylic acid has a molecular weight of 129.04 g/mol, XLogP of -2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2H-pyridin-2-ide-3-carboxylic acid is sourced from PubChem (CID 87944914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).