sodium 2-methyl-3H-pyridin-3-ide

C6H6NNa — CID 23396954

IUPACsodium 2-methyl-3H-pyridin-3-ide
SMILESCc1[c-]cccn1.[Na+]
InChIInChI=1S/C6H6N.Na/c1-6-4-2-3-5-7-6;/h2-3,5H,1H3;/q-1;+1
InChIKeyVSFWSSLASFYUNN-UHFFFAOYSA-N
MW115.11 g/mol
LogP-1.81
Rot. Bonds

About sodium 2-methyl-3H-pyridin-3-ide

sodium 2-methyl-3H-pyridin-3-ide (PubChem CID 23396954) has the molecular formula C6H6NNa and a molecular weight of 115.11 g/mol. Its IUPAC name is sodium 2-methyl-3H-pyridin-3-ide.

Molecular Properties

Compound Namesodium 2-methyl-3H-pyridin-3-ide
PubChem CID23396954
Molecular FormulaC6H6NNa
Molecular Weight115.11 g/mol
Exact Mass115.04
IUPAC Namesodium 2-methyl-3H-pyridin-3-ide
SMILESCc1[c-]cccn1.[Na+]
InChIInChI=1S/C6H6N.Na/c1-6-4-2-3-5-7-6;/h2-3,5H,1H3;/q-1;+1
InChIKeyVSFWSSLASFYUNN-UHFFFAOYSA-N
XLogP-1.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 5-1.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze sodium 2-methyl-3H-pyridin-3-ide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium 2-methyl-3H-pyridin-3-ide?
The IUPAC name of sodium 2-methyl-3H-pyridin-3-ide (CID 23396954) is sodium 2-methyl-3H-pyridin-3-ide.
What is the SMILES notation for sodium 2-methyl-3H-pyridin-3-ide?
The canonical SMILES for sodium 2-methyl-3H-pyridin-3-ide is Cc1[c-]cccn1.[Na+].
What is the InChIKey of sodium 2-methyl-3H-pyridin-3-ide?
The InChIKey is VSFWSSLASFYUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.Na/c1-6-4-2-3-5-7-6;/h2-3,5H,1H3;/q-1;+1.
What are the key properties of sodium 2-methyl-3H-pyridin-3-ide?
sodium 2-methyl-3H-pyridin-3-ide has a molecular weight of 115.11 g/mol, XLogP of -1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methyl-3H-pyridin-3-ide is sourced from PubChem (CID 23396954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).