About 5-chloro-2-(difluoromethyl)-3-(fluoromethyl)pyridine
5-chloro-2-(difluoromethyl)-3-(fluoromethyl)pyridine (PubChem CID 130095561) has the molecular formula C7H5ClF3N
and a molecular weight of 195.57 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-3-(fluoromethyl)pyridine.
Molecular Properties
| Compound Name | 5-chloro-2-(difluoromethyl)-3-(fluoromethyl)pyridine |
| PubChem CID | 130095561 |
| Molecular Formula | C7H5ClF3N |
| Molecular Weight | 195.57 g/mol |
| Exact Mass | 195.01 |
| IUPAC Name | 5-chloro-2-(difluoromethyl)-3-(fluoromethyl)pyridine |
| SMILES | FCc1cc(Cl)cnc1C(F)F |
| InChI | InChI=1S/C7H5ClF3N/c8-5-1-4(2-9)6(7(10)11)12-3-5/h1,3,7H,2H2 |
| InChIKey | QVJDLOAXZGBVHV-UHFFFAOYSA-N |
| XLogP | 3.14 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 195.57 |
| LogP ≤ 5 | 3.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 5-chloro-2-(difluoromethyl)-3-(fluoromethyl)pyridine?
The IUPAC name of 5-chloro-2-(difluoromethyl)-3-(fluoromethyl)pyridine (CID 130095561) is 5-chloro-2-(difluoromethyl)-3-(fluoromethyl)pyridine.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-3-(fluoromethyl)pyridine?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-3-(fluoromethyl)pyridine is FCc1cc(Cl)cnc1C(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-3-(fluoromethyl)pyridine?
The InChIKey is QVJDLOAXZGBVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N/c8-5-1-4(2-9)6(7(10)11)12-3-5/h1,3,7H,2H2.
What are the key properties of 5-chloro-2-(difluoromethyl)-3-(fluoromethyl)pyridine?
5-chloro-2-(difluoromethyl)-3-(fluoromethyl)pyridine has a molecular weight of 195.57 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-3-(fluoromethyl)pyridine is sourced from PubChem (CID 130095561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).