About 2-methyl-4-propylpyridine
2-methyl-4-propylpyridine (PubChem CID 3358679) has the molecular formula C9H13N
and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-methyl-4-propylpyridine.
Molecular Properties
| Compound Name | 2-methyl-4-propylpyridine |
| PubChem CID | 3358679 |
| Molecular Formula | C9H13N |
| Molecular Weight | 135.21 g/mol |
| Exact Mass | 135.10 |
| IUPAC Name | 2-methyl-4-propylpyridine |
| SMILES | CCCc1ccnc(C)c1 |
| InChI | InChI=1S/C9H13N/c1-3-4-9-5-6-10-8(2)7-9/h5-7H,3-4H2,1-2H3 |
| InChIKey | IOZAJRAIMOJUCE-UHFFFAOYSA-N |
| XLogP | 2.34 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 10 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 135.21 |
| LogP ≤ 5 | 2.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-methyl-4-propylpyridine?
The IUPAC name of 2-methyl-4-propylpyridine (CID 3358679) is 2-methyl-4-propylpyridine.
What is the SMILES notation for 2-methyl-4-propylpyridine?
The canonical SMILES for 2-methyl-4-propylpyridine is CCCc1ccnc(C)c1.
What is the InChIKey of 2-methyl-4-propylpyridine?
The InChIKey is IOZAJRAIMOJUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-4-9-5-6-10-8(2)7-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-methyl-4-propylpyridine?
2-methyl-4-propylpyridine has a molecular weight of 135.21 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propylpyridine is sourced from PubChem (CID 3358679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).