About 2,4,6-trimethylpyridin-1-ium
2,4,6-trimethylpyridin-1-ium (PubChem CID 3700118) has the molecular formula C8H12N+
and a molecular weight of 122.19 g/mol. Its IUPAC name is 2,4,6-trimethylpyridin-1-ium.
Molecular Properties
| Compound Name | 2,4,6-trimethylpyridin-1-ium |
|---|
| PubChem CID | 3700118 |
|---|
| Molecular Formula | C8H12N+ |
|---|
| Molecular Weight | 122.19 g/mol |
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| Exact Mass | 122.10 |
|---|
| IUPAC Name | 2,4,6-trimethylpyridin-1-ium |
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| SMILES | Cc1cc(C)[nH+]c(C)c1 |
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| InChI | InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3/p+1 |
|---|
| InChIKey | BWZVCCNYKMEVEX-UHFFFAOYSA-O |
|---|
| XLogP | 1.43 |
|---|
| TPSA | 14.14 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 9 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 122.19 |
| LogP ≤ 5 | 1.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 2,4,6-trimethylpyridin-1-ium?
The IUPAC name of 2,4,6-trimethylpyridin-1-ium (CID 3700118) is 2,4,6-trimethylpyridin-1-ium.
What is the SMILES notation for 2,4,6-trimethylpyridin-1-ium?
The canonical SMILES for 2,4,6-trimethylpyridin-1-ium is Cc1cc(C)[nH+]c(C)c1.
What is the InChIKey of 2,4,6-trimethylpyridin-1-ium?
The InChIKey is BWZVCCNYKMEVEX-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3/p+1.
What are the key properties of 2,4,6-trimethylpyridin-1-ium?
2,4,6-trimethylpyridin-1-ium has a molecular weight of 122.19 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylpyridin-1-ium is sourced from PubChem (CID 3700118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).