About imidazo[4,5-c]pyridin-1-ium
imidazo[4,5-c]pyridin-1-ium (PubChem CID 88684624) has the molecular formula C6H4N3+
and a molecular weight of 118.12 g/mol. Its IUPAC name is imidazo[4,5-c]pyridin-1-ium.
Molecular Properties
| Compound Name | imidazo[4,5-c]pyridin-1-ium |
|---|
| PubChem CID | 88684624 |
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| Molecular Formula | C6H4N3+ |
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| Molecular Weight | 118.12 g/mol |
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| Exact Mass | 118.04 |
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| IUPAC Name | imidazo[4,5-c]pyridin-1-ium |
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| SMILES | C1=[N+]=c2ccncc2=N1 |
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| InChI | InChI=1S/C6H4N3/c1-2-7-3-6-5(1)8-4-9-6/h1-4H/q+1 |
|---|
| InChIKey | FZLPCXHNAWZAGW-UHFFFAOYSA-N |
|---|
| XLogP | -1.57 |
|---|
| TPSA | 39.35 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 118.12 |
| LogP ≤ 5 | -1.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of imidazo[4,5-c]pyridin-1-ium?
The IUPAC name of imidazo[4,5-c]pyridin-1-ium (CID 88684624) is imidazo[4,5-c]pyridin-1-ium.
What is the SMILES notation for imidazo[4,5-c]pyridin-1-ium?
The canonical SMILES for imidazo[4,5-c]pyridin-1-ium is C1=[N+]=c2ccncc2=N1.
What is the InChIKey of imidazo[4,5-c]pyridin-1-ium?
The InChIKey is FZLPCXHNAWZAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N3/c1-2-7-3-6-5(1)8-4-9-6/h1-4H/q+1.
What are the key properties of imidazo[4,5-c]pyridin-1-ium?
imidazo[4,5-c]pyridin-1-ium has a molecular weight of 118.12 g/mol, XLogP of -1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[4,5-c]pyridin-1-ium is sourced from PubChem (CID 88684624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).