lithium 4H-pyridin-4-ide

C5H4LiN — CID 13014695

IUPAClithium 4H-pyridin-4-ide
SMILES[Li+].[c-]1ccncc1
InChIInChI=1S/C5H4N.Li/c1-2-4-6-5-3-1;/h2-5H;/q-1;+1
InChIKeyIMRCWTBBTYVQHZ-UHFFFAOYSA-N
MW85.03 g/mol
LogP-2.11
Rot. Bonds

About lithium 4H-pyridin-4-ide

lithium 4H-pyridin-4-ide (PubChem CID 13014695) has the molecular formula C5H4LiN and a molecular weight of 85.03 g/mol. Its IUPAC name is lithium 4H-pyridin-4-ide.

Molecular Properties

Compound Namelithium 4H-pyridin-4-ide
PubChem CID13014695
Molecular FormulaC5H4LiN
Molecular Weight85.03 g/mol
Exact Mass85.05
IUPAC Namelithium 4H-pyridin-4-ide
SMILES[Li+].[c-]1ccncc1
InChIInChI=1S/C5H4N.Li/c1-2-4-6-5-3-1;/h2-5H;/q-1;+1
InChIKeyIMRCWTBBTYVQHZ-UHFFFAOYSA-N
XLogP-2.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.03
LogP ≤ 5-2.11
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 4H-pyridin-4-ide?
The IUPAC name of lithium 4H-pyridin-4-ide (CID 13014695) is lithium 4H-pyridin-4-ide.
What is the SMILES notation for lithium 4H-pyridin-4-ide?
The canonical SMILES for lithium 4H-pyridin-4-ide is [Li+].[c-]1ccncc1.
What is the InChIKey of lithium 4H-pyridin-4-ide?
The InChIKey is IMRCWTBBTYVQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N.Li/c1-2-4-6-5-3-1;/h2-5H;/q-1;+1.
What are the key properties of lithium 4H-pyridin-4-ide?
lithium 4H-pyridin-4-ide has a molecular weight of 85.03 g/mol, XLogP of -2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4H-pyridin-4-ide is sourced from PubChem (CID 13014695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).