4-Methyl-2-pyridyllithium

C6H6LiN — CID 16182949

IUPAClithium 4-methyl-2H-pyridin-2-ide
SMILES[Li+].CC1=C[C-]=NC=C1
InChIInChI=1S/C6H6N.Li/c1-6-2-4-7-5-3-6;/h2-4H,1H3;/q-1;+1
InChIKeySFKMLXNVRIEDGT-UHFFFAOYSA-N
MW99.10 g/mol
LogP—
Rot. Bonds

About 4-Methyl-2-pyridyllithium

4-Methyl-2-pyridyllithium (PubChem CID 16182949) has the molecular formula C6H6LiN and a molecular weight of 99.10 g/mol. Its IUPAC name is lithium 4-methyl-2H-pyridin-2-ide.

Molecular Properties

Compound Name4-Methyl-2-pyridyllithium
PubChem CID16182949
Molecular FormulaC6H6LiN
Molecular Weight99.10 g/mol
Exact Mass99.07
IUPAC Namelithium 4-methyl-2H-pyridin-2-ide
SMILES[Li+].CC1=C[C-]=NC=C1
InChIInChI=1S/C6H6N.Li/c1-6-2-4-7-5-3-6;/h2-4H,1H3;/q-1;+1
InChIKeySFKMLXNVRIEDGT-UHFFFAOYSA-N
XLogP—
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity145

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.10
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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Related Compounds

4-Methyl-2-pyridylzinc bromide solution
CID 6418566
Lithium 5-methylpyridin-2-ide
CID 15815864
lithium;4-(trifluoromethyl)-2H-pyridin-2-ide
CID 134857287
5-Methyl-2-pyridylzinc bromide
CID 6411545
4-Methyl-1-azacyclohepta-2,4,6,7-tetraene
CID 71331630
Lithium 3-methylpyridin-2-ide
CID 16177570
4-methyl-2H-pyridin-2-ide
CID 125458985
4-Vinylpyridine-ZINC chloride
CID 129716684
5-Methyl-pyridinyl ZINC bromide
CID 22147986
5-Methyl-2-pyridylmagnesium bromide
CID 24722681
4-Methyl-2-pyridylmagnesium bromide
CID 24722682
CID 54712745
CID 54712745

Frequently Asked Questions

What is the IUPAC name of 4-Methyl-2-pyridyllithium?
The IUPAC name of 4-Methyl-2-pyridyllithium (CID 16182949) is lithium 4-methyl-2H-pyridin-2-ide.
What is the SMILES notation for 4-Methyl-2-pyridyllithium?
The canonical SMILES for 4-Methyl-2-pyridyllithium is [Li+].CC1=C[C-]=NC=C1.
What is the InChIKey of 4-Methyl-2-pyridyllithium?
The InChIKey is SFKMLXNVRIEDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.Li/c1-6-2-4-7-5-3-6;/h2-4H,1H3;/q-1;+1.
What are the key properties of 4-Methyl-2-pyridyllithium?
4-Methyl-2-pyridyllithium has a molecular weight of 99.10 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-Methyl-2-pyridyllithium is sourced from PubChem (CID 16182949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).