About 5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one
5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one (PubChem CID 46311954) has the molecular formula C11H7ClFNO
and a molecular weight of 223.63 g/mol. Its IUPAC name is 5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one.
Molecular Properties
| Compound Name | 5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one |
| PubChem CID | 46311954 |
| Molecular Formula | C11H7ClFNO |
| Molecular Weight | 223.63 g/mol |
| Exact Mass | 223.02 |
| IUPAC Name | 5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one |
| SMILES | O=c1[nH]cc(Cl)cc1-c1ccc(F)cc1 |
| InChI | InChI=1S/C11H7ClFNO/c12-8-5-10(11(15)14-6-8)7-1-3-9(13)4-2-7/h1-6H,(H,14,15) |
| InChIKey | WXMKWBTWZXYYRZ-UHFFFAOYSA-N |
| XLogP | 2.83 |
| TPSA | 32.86 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 223.63 |
| LogP ≤ 5 | 2.83 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one (CID 46311954) is 5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one is O=c1[nH]cc(Cl)cc1-c1ccc(F)cc1.
What is the InChIKey of 5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one?
The InChIKey is WXMKWBTWZXYYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO/c12-8-5-10(11(15)14-6-8)7-1-3-9(13)4-2-7/h1-6H,(H,14,15).
What are the key properties of 5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one?
5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one has a molecular weight of 223.63 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 46311954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).