Lithium 3-methylpyridin-2-ide

C6H6LiN — CID 16177570

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

About Lithium 3-methylpyridin-2-ide

Lithium 3-methylpyridin-2-ide (PubChem CID 16177570) has the molecular formula C6H6LiN and a molecular weight of 99.10 g/mol. Its IUPAC name is lithium 3-methyl-2H-pyridin-2-ide.

Molecular Properties

Compound NameLithium 3-methylpyridin-2-ide
PubChem CID16177570
Molecular FormulaC6H6LiN
Molecular Weight99.10 g/mol
Exact Mass99.07
IUPAC Namelithium 3-methyl-2H-pyridin-2-ide
SMILES[Li+].CC1=[C-]N=CC=C1
InChIInChI=1S/C6H6N.Li/c1-6-3-2-4-7-5-6;/h2-4H,1H3;/q-1;+1
InChIKeyFPMITXZCPHPTLR-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

Bromozinc(1+) 3-methylpyridin-2-ide
CID 16133065
Lithium 5-methylpyridin-2-ide
CID 15815864
3-(Trifluoromethyl)pyridyllithium
CID 85826287
5-Methyl-2-pyridylzinc bromide
CID 6411545
3-Methylenepyridine
CID 59803326
3-Methanidylidenepyridin-1-ium
CID 59909632
Bis(carbene)pyridine
CID 59931162
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
4-Methyl-2-pyridyllithium
CID 16182949
2-Ethyl pyridyllithium
CID 129677973
3,5-Dimethylpyrid-2-yllithium
CID 129860319
lithium 5-methylidene-2H-pyridin-2-ide
CID 134914032

Frequently Asked Questions

What is the IUPAC name of Lithium 3-methylpyridin-2-ide?
The IUPAC name of Lithium 3-methylpyridin-2-ide (CID 16177570) is lithium 3-methyl-2H-pyridin-2-ide.
What is the SMILES notation for Lithium 3-methylpyridin-2-ide?
The canonical SMILES for Lithium 3-methylpyridin-2-ide is [Li+].CC1=[C-]N=CC=C1.
What is the InChIKey of Lithium 3-methylpyridin-2-ide?
The InChIKey is FPMITXZCPHPTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.Li/c1-6-3-2-4-7-5-6;/h2-4H,1H3;/q-1;+1.
What are the key properties of Lithium 3-methylpyridin-2-ide?
Lithium 3-methylpyridin-2-ide 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 Lithium 3-methylpyridin-2-ide is sourced from PubChem (CID 16177570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).