sodium 4H-pyridin-4-ide

C5H4NNa — CID 18369465

IUPACsodium 4H-pyridin-4-ide
SMILES[Na+].[c-]1ccncc1
InChIInChI=1S/C5H4N.Na/c1-2-4-6-5-3-1;/h2-5H;/q-1;+1
InChIKeyGRUFJBSOYZXCDO-UHFFFAOYSA-N
MW101.08 g/mol
LogP-2.11
Rot. Bonds

About sodium 4H-pyridin-4-ide

sodium 4H-pyridin-4-ide (PubChem CID 18369465) has the molecular formula C5H4NNa and a molecular weight of 101.08 g/mol. Its IUPAC name is sodium 4H-pyridin-4-ide.

Molecular Properties

Compound Namesodium 4H-pyridin-4-ide
PubChem CID18369465
Molecular FormulaC5H4NNa
Molecular Weight101.08 g/mol
Exact Mass101.02
IUPAC Namesodium 4H-pyridin-4-ide
SMILES[Na+].[c-]1ccncc1
InChIInChI=1S/C5H4N.Na/c1-2-4-6-5-3-1;/h2-5H;/q-1;+1
InChIKeyGRUFJBSOYZXCDO-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 ≤ 500101.08
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'}

Analyze sodium 4H-pyridin-4-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Pyridyl zinc bromide
CID 6414715
2-Pyridylmagnesium bromide
CID 10888579
Azocine
CID 6451481
Lithium, 3-pyridinyl-
CID 11126177
2-Pyridyllithium
CID 12327865
Lithium pyridin-4-ide
CID 13014695
Potassium pyridin-4-ide
CID 71428983
Pyridin-3-ylmagnesium chloride
CID 11378525
Schembl157173
CID 11521193
Pyridylcopper
CID 12761937
Chlorozinc(1+) pyridin-2-ide
CID 12931150
Chlorozinc(1+) pyridin-3-ide
CID 12931151

Frequently Asked Questions

What is the IUPAC name of sodium 4H-pyridin-4-ide?
The IUPAC name of sodium 4H-pyridin-4-ide (CID 18369465) is sodium 4H-pyridin-4-ide.
What is the SMILES notation for sodium 4H-pyridin-4-ide?
The canonical SMILES for sodium 4H-pyridin-4-ide is [Na+].[c-]1ccncc1.
What is the InChIKey of sodium 4H-pyridin-4-ide?
The InChIKey is GRUFJBSOYZXCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N.Na/c1-2-4-6-5-3-1;/h2-5H;/q-1;+1.
What are the key properties of sodium 4H-pyridin-4-ide?
sodium 4H-pyridin-4-ide has a molecular weight of 101.08 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 sodium 4H-pyridin-4-ide is sourced from PubChem (CID 18369465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).