lithium 5-methyl-2H-pyridin-2-ide

C6H6LiN — CID 15815864

IUPAClithium 5-methyl-2H-pyridin-2-ide
SMILESCc1cc[c-]nc1.[Li+]
InChIInChI=1S/C6H6N.Li/c1-6-3-2-4-7-5-6;/h2-3,5H,1H3;/q-1;+1
InChIKeyHAEFJCJIQANIJO-UHFFFAOYSA-N
MW99.06 g/mol
LogP-1.81
Rot. Bonds

About lithium 5-methyl-2H-pyridin-2-ide

lithium 5-methyl-2H-pyridin-2-ide (PubChem CID 15815864) has the molecular formula C6H6LiN and a molecular weight of 99.06 g/mol. Its IUPAC name is lithium 5-methyl-2H-pyridin-2-ide.

Molecular Properties

Compound Namelithium 5-methyl-2H-pyridin-2-ide
PubChem CID15815864
Molecular FormulaC6H6LiN
Molecular Weight99.06 g/mol
Exact Mass99.07
IUPAC Namelithium 5-methyl-2H-pyridin-2-ide
SMILESCc1cc[c-]nc1.[Li+]
InChIInChI=1S/C6H6N.Li/c1-6-3-2-4-7-5-6;/h2-3,5H,1H3;/q-1;+1
InChIKeyHAEFJCJIQANIJO-UHFFFAOYSA-N
XLogP-1.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.06
LogP ≤ 5-1.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-methyl-2H-pyridin-2-ide?
The IUPAC name of lithium 5-methyl-2H-pyridin-2-ide (CID 15815864) is lithium 5-methyl-2H-pyridin-2-ide.
What is the SMILES notation for lithium 5-methyl-2H-pyridin-2-ide?
The canonical SMILES for lithium 5-methyl-2H-pyridin-2-ide is Cc1cc[c-]nc1.[Li+].
What is the InChIKey of lithium 5-methyl-2H-pyridin-2-ide?
The InChIKey is HAEFJCJIQANIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.Li/c1-6-3-2-4-7-5-6;/h2-3,5H,1H3;/q-1;+1.
What are the key properties of lithium 5-methyl-2H-pyridin-2-ide?
lithium 5-methyl-2H-pyridin-2-ide has a molecular weight of 99.06 g/mol, XLogP of -1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-methyl-2H-pyridin-2-ide is sourced from PubChem (CID 15815864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).