lithium 6-methyl-2H-pyridin-2-ide

C6H6LiN — CID 14784767

IUPAClithium 6-methyl-2H-pyridin-2-ide
SMILESCc1ccc[c-]n1.[Li+]
InChIInChI=1S/C6H6N.Li/c1-6-4-2-3-5-7-6;/h2-4H,1H3;/q-1;+1
InChIKeyGYGGCFYHRNLWKB-UHFFFAOYSA-N
MW99.06 g/mol
LogP-1.81
Rot. Bonds

About lithium 6-methyl-2H-pyridin-2-ide

lithium 6-methyl-2H-pyridin-2-ide (PubChem CID 14784767) has the molecular formula C6H6LiN and a molecular weight of 99.06 g/mol. Its IUPAC name is lithium 6-methyl-2H-pyridin-2-ide.

Molecular Properties

Compound Namelithium 6-methyl-2H-pyridin-2-ide
PubChem CID14784767
Molecular FormulaC6H6LiN
Molecular Weight99.06 g/mol
Exact Mass99.07
IUPAC Namelithium 6-methyl-2H-pyridin-2-ide
SMILESCc1ccc[c-]n1.[Li+]
InChIInChI=1S/C6H6N.Li/c1-6-4-2-3-5-7-6;/h2-4H,1H3;/q-1;+1
InChIKeyGYGGCFYHRNLWKB-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 6-methyl-2H-pyridin-2-ide?
The IUPAC name of lithium 6-methyl-2H-pyridin-2-ide (CID 14784767) is lithium 6-methyl-2H-pyridin-2-ide.
What is the SMILES notation for lithium 6-methyl-2H-pyridin-2-ide?
The canonical SMILES for lithium 6-methyl-2H-pyridin-2-ide is Cc1ccc[c-]n1.[Li+].
What is the InChIKey of lithium 6-methyl-2H-pyridin-2-ide?
The InChIKey is GYGGCFYHRNLWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.Li/c1-6-4-2-3-5-7-6;/h2-4H,1H3;/q-1;+1.
What are the key properties of lithium 6-methyl-2H-pyridin-2-ide?
lithium 6-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 6-methyl-2H-pyridin-2-ide is sourced from PubChem (CID 14784767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).