About 1H-pyrazolo[4,5-c]pyridine-4-carbaldehyde;hydrochloride
1H-pyrazolo[4,5-c]pyridine-4-carbaldehyde;hydrochloride (PubChem CID 169445770) has the molecular formula C7H6ClN3O
and a molecular weight of 183.60 g/mol. Its IUPAC name is 1H-pyrazolo[4,5-c]pyridine-4-carbaldehyde;hydrochloride.
Molecular Properties
| Compound Name | 1H-pyrazolo[4,5-c]pyridine-4-carbaldehyde;hydrochloride |
| PubChem CID | 169445770 |
| Molecular Formula | C7H6ClN3O |
| Molecular Weight | 183.60 g/mol |
| Exact Mass | 183.02 |
| IUPAC Name | 1H-pyrazolo[4,5-c]pyridine-4-carbaldehyde;hydrochloride |
| SMILES | Cl.O=Cc1nccc2[nH]ncc12 |
| InChI | InChI=1S/C7H5N3O.ClH/c11-4-7-5-3-9-10-6(5)1-2-8-7;/h1-4H,(H,9,10);1H |
| InChIKey | UGULDYIIRJVMRR-UHFFFAOYSA-N |
| XLogP | 1.19 |
| TPSA | 58.64 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 183.60 |
| LogP ≤ 5 | 1.19 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1H-pyrazolo[4,5-c]pyridine-4-carbaldehyde;hydrochloride?
The IUPAC name of 1H-pyrazolo[4,5-c]pyridine-4-carbaldehyde;hydrochloride (CID 169445770) is 1H-pyrazolo[4,5-c]pyridine-4-carbaldehyde;hydrochloride.
What is the SMILES notation for 1H-pyrazolo[4,5-c]pyridine-4-carbaldehyde;hydrochloride?
The canonical SMILES for 1H-pyrazolo[4,5-c]pyridine-4-carbaldehyde;hydrochloride is Cl.O=Cc1nccc2[nH]ncc12.
What is the InChIKey of 1H-pyrazolo[4,5-c]pyridine-4-carbaldehyde;hydrochloride?
The InChIKey is UGULDYIIRJVMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O.ClH/c11-4-7-5-3-9-10-6(5)1-2-8-7;/h1-4H,(H,9,10);1H.
What are the key properties of 1H-pyrazolo[4,5-c]pyridine-4-carbaldehyde;hydrochloride?
1H-pyrazolo[4,5-c]pyridine-4-carbaldehyde;hydrochloride has a molecular weight of 183.60 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazolo[4,5-c]pyridine-4-carbaldehyde;hydrochloride is sourced from PubChem (CID 169445770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).