About 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine
2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine (PubChem CID 83647798) has the molecular formula C9H8BrN3
and a molecular weight of 238.09 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine.
Molecular Properties
| Compound Name | 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine |
| PubChem CID | 83647798 |
| Molecular Formula | C9H8BrN3 |
| Molecular Weight | 238.09 g/mol |
| Exact Mass | 236.99 |
| IUPAC Name | 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine |
| SMILES | Cc1[nH]c(-c2ccccn2)nc1Br |
| InChI | InChI=1S/C9H8BrN3/c1-6-8(10)13-9(12-6)7-4-2-3-5-11-7/h2-5H,1H3,(H,12,13) |
| InChIKey | RRIDSOFTSJHTKD-UHFFFAOYSA-N |
| XLogP | 2.54 |
| TPSA | 41.57 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 238.09 |
| LogP ≤ 5 | 2.54 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine?
The IUPAC name of 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine (CID 83647798) is 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine.
What is the SMILES notation for 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine?
The canonical SMILES for 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine is Cc1[nH]c(-c2ccccn2)nc1Br.
What is the InChIKey of 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine?
The InChIKey is RRIDSOFTSJHTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3/c1-6-8(10)13-9(12-6)7-4-2-3-5-11-7/h2-5H,1H3,(H,12,13).
What are the key properties of 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine?
2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine has a molecular weight of 238.09 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-1H-imidazol-2-yl)pyridine is sourced from PubChem (CID 83647798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).