4-Lutidyllithium

C7H8LiN — CID 129669650

IUPAClithium 2,6-dimethyl-4H-pyridin-4-ide
SMILES[Li+].CC1=NC(=C[C-]=C1)C
InChIInChI=1S/C7H8N.Li/c1-6-4-3-5-7(2)8-6;/h4-5H,1-2H3;/q-1;+1
InChIKeyYOVNOUZVTUVJBX-UHFFFAOYSA-N
MW113.10 g/mol
LogP—
Rot. Bonds

About 4-Lutidyllithium

4-Lutidyllithium (PubChem CID 129669650) has the molecular formula C7H8LiN and a molecular weight of 113.10 g/mol. Its IUPAC name is lithium 2,6-dimethyl-4H-pyridin-4-ide.

Molecular Properties

Compound Name4-Lutidyllithium
PubChem CID129669650
Molecular FormulaC7H8LiN
Molecular Weight113.10 g/mol
Exact Mass113.08
IUPAC Namelithium 2,6-dimethyl-4H-pyridin-4-ide
SMILES[Li+].CC1=NC(=C[C-]=C1)C
InChIInChI=1S/C7H8N.Li/c1-6-4-3-5-7(2)8-6;/h4-5H,1-2H3;/q-1;+1
InChIKeyYOVNOUZVTUVJBX-UHFFFAOYSA-N
XLogP—
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity158

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.10
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 4-Lutidyllithium?
The IUPAC name of 4-Lutidyllithium (CID 129669650) is lithium 2,6-dimethyl-4H-pyridin-4-ide.
What is the SMILES notation for 4-Lutidyllithium?
The canonical SMILES for 4-Lutidyllithium is [Li+].CC1=NC(=C[C-]=C1)C.
What is the InChIKey of 4-Lutidyllithium?
The InChIKey is YOVNOUZVTUVJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.Li/c1-6-4-3-5-7(2)8-6;/h4-5H,1-2H3;/q-1;+1.
What are the key properties of 4-Lutidyllithium?
4-Lutidyllithium has a molecular weight of 113.10 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Lutidyllithium is sourced from PubChem (CID 129669650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).