About 1-benzhydryl-2-methyl-2H-pyridine
1-benzhydryl-2-methyl-2H-pyridine (PubChem CID 100945872) has the molecular formula C19H19N
and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-benzhydryl-2-methyl-2H-pyridine.
Molecular Properties
| Compound Name | 1-benzhydryl-2-methyl-2H-pyridine |
| PubChem CID | 100945872 |
| Molecular Formula | C19H19N |
| Molecular Weight | 261.37 g/mol |
| Exact Mass | 261.15 |
| IUPAC Name | 1-benzhydryl-2-methyl-2H-pyridine |
| SMILES | CC1C=CC=CN1C(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C19H19N/c1-16-10-8-9-15-20(16)19(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-16,19H,1H3 |
| InChIKey | TUBOALVJPODYJM-UHFFFAOYSA-N |
| XLogP | 4.55 |
| TPSA | 3.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 261.37 |
| LogP ≤ 5 | 4.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 1-benzhydryl-2-methyl-2H-pyridine?
The IUPAC name of 1-benzhydryl-2-methyl-2H-pyridine (CID 100945872) is 1-benzhydryl-2-methyl-2H-pyridine.
What is the SMILES notation for 1-benzhydryl-2-methyl-2H-pyridine?
The canonical SMILES for 1-benzhydryl-2-methyl-2H-pyridine is CC1C=CC=CN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-2-methyl-2H-pyridine?
The InChIKey is TUBOALVJPODYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-16-10-8-9-15-20(16)19(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-16,19H,1H3.
What are the key properties of 1-benzhydryl-2-methyl-2H-pyridine?
1-benzhydryl-2-methyl-2H-pyridine has a molecular weight of 261.37 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-2-methyl-2H-pyridine is sourced from PubChem (CID 100945872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).