About 5-methyl-2H-pyridin-2-ide;yttrium
5-methyl-2H-pyridin-2-ide;yttrium (PubChem CID 58607063) has the molecular formula C6H6NY-
and a molecular weight of 181.03 g/mol. Its IUPAC name is 5-methyl-2H-pyridin-2-ide;yttrium.
Molecular Properties
| Compound Name | 5-methyl-2H-pyridin-2-ide;yttrium |
| PubChem CID | 58607063 |
| Molecular Formula | C6H6NY- |
| Molecular Weight | 181.03 g/mol |
| Exact Mass | 180.96 |
| IUPAC Name | 5-methyl-2H-pyridin-2-ide;yttrium |
| SMILES | Cc1cc[c-]nc1.[Y] |
| InChI | InChI=1S/C6H6N.Y/c1-6-3-2-4-7-5-6;/h2-3,5H,1H3;/q-1; |
| InChIKey | LYVHXXQENDYWOZ-UHFFFAOYSA-N |
| XLogP | 1.19 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | |
| Heavy Atoms | 8 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 181.03 |
| LogP ≤ 5 | 1.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze 5-methyl-2H-pyridin-2-ide;yttrium 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 5-methyl-2H-pyridin-2-ide;yttrium?
The IUPAC name of 5-methyl-2H-pyridin-2-ide;yttrium (CID 58607063) is 5-methyl-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 5-methyl-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 5-methyl-2H-pyridin-2-ide;yttrium is Cc1cc[c-]nc1.[Y].
What is the InChIKey of 5-methyl-2H-pyridin-2-ide;yttrium?
The InChIKey is LYVHXXQENDYWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.Y/c1-6-3-2-4-7-5-6;/h2-3,5H,1H3;/q-1;.
What are the key properties of 5-methyl-2H-pyridin-2-ide;yttrium?
5-methyl-2H-pyridin-2-ide;yttrium has a molecular weight of 181.03 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 58607063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).