About 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine
2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine (PubChem CID 155765634) has the molecular formula C11H10ClN3O
and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine.
Molecular Properties
| Compound Name | 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine |
| PubChem CID | 155765634 |
| Molecular Formula | C11H10ClN3O |
| Molecular Weight | 235.67 g/mol |
| Exact Mass | 235.05 |
| IUPAC Name | 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine |
| SMILES | Clc1cc(Oc2cc(C3CC3)[nH]n2)ccn1 |
| InChI | InChI=1S/C11H10ClN3O/c12-10-5-8(3-4-13-10)16-11-6-9(14-15-11)7-1-2-7/h3-7H,1-2H2,(H,14,15) |
| InChIKey | GPFRPTAKMPIWBL-UHFFFAOYSA-N |
| XLogP | 3.13 |
| TPSA | 50.80 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 235.67 |
| LogP ≤ 5 | 3.13 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine?
The IUPAC name of 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine (CID 155765634) is 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine.
What is the SMILES notation for 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine?
The canonical SMILES for 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine is Clc1cc(Oc2cc(C3CC3)[nH]n2)ccn1.
What is the InChIKey of 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine?
The InChIKey is GPFRPTAKMPIWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-10-5-8(3-4-13-10)16-11-6-9(14-15-11)7-1-2-7/h3-7H,1-2H2,(H,14,15).
What are the key properties of 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine?
2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine has a molecular weight of 235.67 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine is sourced from PubChem (CID 155765634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).