sodium 2,3,4,5-tetrahydropyridine-6-carboxylate

C6H8NNaO2 — CID 100925684

IUPACsodium 2,3,4,5-tetrahydropyridine-6-carboxylate
SMILESO=C([O-])C1=NCCCC1.[Na+]
InChIInChI=1S/C6H9NO2.Na/c8-6(9)5-3-1-2-4-7-5;/h1-4H2,(H,8,9);/q;+1/p-1
InChIKeyOWJZWKKJEKFCNH-UHFFFAOYSA-M
MW149.12 g/mol
LogP-3.63
Rot. Bonds1

About sodium 2,3,4,5-tetrahydropyridine-6-carboxylate

sodium 2,3,4,5-tetrahydropyridine-6-carboxylate (PubChem CID 100925684) has the molecular formula C6H8NNaO2 and a molecular weight of 149.12 g/mol. Its IUPAC name is sodium 2,3,4,5-tetrahydropyridine-6-carboxylate.

Molecular Properties

Compound Namesodium 2,3,4,5-tetrahydropyridine-6-carboxylate
PubChem CID100925684
Molecular FormulaC6H8NNaO2
Molecular Weight149.12 g/mol
Exact Mass149.05
IUPAC Namesodium 2,3,4,5-tetrahydropyridine-6-carboxylate
SMILESO=C([O-])C1=NCCCC1.[Na+]
InChIInChI=1S/C6H9NO2.Na/c8-6(9)5-3-1-2-4-7-5;/h1-4H2,(H,8,9);/q;+1/p-1
InChIKeyOWJZWKKJEKFCNH-UHFFFAOYSA-M
XLogP-3.63
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 5-3.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze sodium 2,3,4,5-tetrahydropyridine-6-carboxylate 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 2,3,4,5-tetrahydropyridine-6-carboxylate?
The IUPAC name of sodium 2,3,4,5-tetrahydropyridine-6-carboxylate (CID 100925684) is sodium 2,3,4,5-tetrahydropyridine-6-carboxylate.
What is the SMILES notation for sodium 2,3,4,5-tetrahydropyridine-6-carboxylate?
The canonical SMILES for sodium 2,3,4,5-tetrahydropyridine-6-carboxylate is O=C([O-])C1=NCCCC1.[Na+].
What is the InChIKey of sodium 2,3,4,5-tetrahydropyridine-6-carboxylate?
The InChIKey is OWJZWKKJEKFCNH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9NO2.Na/c8-6(9)5-3-1-2-4-7-5;/h1-4H2,(H,8,9);/q;+1/p-1.
What are the key properties of sodium 2,3,4,5-tetrahydropyridine-6-carboxylate?
sodium 2,3,4,5-tetrahydropyridine-6-carboxylate has a molecular weight of 149.12 g/mol, XLogP of -3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,3,4,5-tetrahydropyridine-6-carboxylate is sourced from PubChem (CID 100925684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).