About 3-(2-methylphenyl)pyridine
3-(2-methylphenyl)pyridine (PubChem CID 4133191) has the molecular formula C12H11N
and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-(2-methylphenyl)pyridine.
Molecular Properties
| Compound Name | 3-(2-methylphenyl)pyridine |
| PubChem CID | 4133191 |
| Molecular Formula | C12H11N |
| Molecular Weight | 169.23 g/mol |
| Exact Mass | 169.09 |
| IUPAC Name | 3-(2-methylphenyl)pyridine |
| SMILES | Cc1ccccc1-c1cccnc1 |
| InChI | InChI=1S/C12H11N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h2-9H,1H3 |
| InChIKey | RWQQGQLBQBGMTO-UHFFFAOYSA-N |
| XLogP | 3.06 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 169.23 |
| LogP ≤ 5 | 3.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 3-(2-methylphenyl)pyridine?
The IUPAC name of 3-(2-methylphenyl)pyridine (CID 4133191) is 3-(2-methylphenyl)pyridine.
What is the SMILES notation for 3-(2-methylphenyl)pyridine?
The canonical SMILES for 3-(2-methylphenyl)pyridine is Cc1ccccc1-c1cccnc1.
What is the InChIKey of 3-(2-methylphenyl)pyridine?
The InChIKey is RWQQGQLBQBGMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-10-5-2-3-7-12(10)11-6-4-8-13-9-11/h2-9H,1H3.
What are the key properties of 3-(2-methylphenyl)pyridine?
3-(2-methylphenyl)pyridine has a molecular weight of 169.23 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)pyridine is sourced from PubChem (CID 4133191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).