2-Ethyl pyridyllithium

C7H8LiN — CID 129677973

IUPAClithium 2-ethyl-3H-pyridin-3-ide
SMILES[Li+].CCC1=[C-]C=CC=N1
InChIInChI=1S/C7H8N.Li/c1-2-7-5-3-4-6-8-7;/h3-4,6H,2H2,1H3;/q-1;+1
InChIKeyNKDLBBVTZSEMNI-UHFFFAOYSA-N
MW113.10 g/mol
LogP—
Rot. Bonds1

About 2-Ethyl pyridyllithium

2-Ethyl pyridyllithium (PubChem CID 129677973) has the molecular formula C7H8LiN and a molecular weight of 113.10 g/mol. Its IUPAC name is lithium 2-ethyl-3H-pyridin-3-ide.

Molecular Properties

Compound Name2-Ethyl pyridyllithium
PubChem CID129677973
Molecular FormulaC7H8LiN
Molecular Weight113.10 g/mol
Exact Mass113.08
IUPAC Namelithium 2-ethyl-3H-pyridin-3-ide
SMILES[Li+].CCC1=[C-]C=CC=N1
InChIInChI=1S/C7H8N.Li/c1-2-7-5-3-4-6-8-7;/h3-4,6H,2H2,1H3;/q-1;+1
InChIKeyNKDLBBVTZSEMNI-UHFFFAOYSA-N
XLogP—
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity156

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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Related Compounds

a-Picolyllithium
CID 129667026
Lutidyllithium
CID 129669688
Lithium 3-methylpyridin-2-ide
CID 16177570
lithium 6-methyl-3H-pyridin-3-ide
CID 22323741
2-methylidene-3H-pyridine
CID 45079590
N-methylhepta-2,4-dien-1-imine
CID 53832217
7-methyl-3H-azepine
CID 54349818
2-propan-2-yl-3H-pyridin-3-ide;yttrium
CID 58365235
5,6-dimethyl-3H-pyridin-3-ide;yttrium
CID 59098074
2-ethyl-3H-pyridin-3-ide;vanadium
CID 60030452
2-ethyl-3H-pyridin-3-ide;yttrium
CID 60087245
(2E)-2-[(Z)-but-2-enylidene]-3H-pyridine
CID 88542841

Frequently Asked Questions

What is the IUPAC name of 2-Ethyl pyridyllithium?
The IUPAC name of 2-Ethyl pyridyllithium (CID 129677973) is lithium 2-ethyl-3H-pyridin-3-ide.
What is the SMILES notation for 2-Ethyl pyridyllithium?
The canonical SMILES for 2-Ethyl pyridyllithium is [Li+].CCC1=[C-]C=CC=N1.
What is the InChIKey of 2-Ethyl pyridyllithium?
The InChIKey is NKDLBBVTZSEMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.Li/c1-2-7-5-3-4-6-8-7;/h3-4,6H,2H2,1H3;/q-1;+1.
What are the key properties of 2-Ethyl pyridyllithium?
2-Ethyl pyridyllithium has a molecular weight of 113.10 g/mol, XLogP of not available, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Ethyl pyridyllithium is sourced from PubChem (CID 129677973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).