1-Phenyl-2-(pyridin-3-yl)ethanone
TL;DR: 1-Phenyl-2-(pyridin-3-yl)ethanone (CAS 118225-54-0) is a chemical compound with molecular formula C13H11NO and molecular weight 197.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-2-pyridin-3-ylethanone
Also Known As: 1-phenyl-2-(pyridin-3-yl)ethanone, pyridine, 3-phenacyl-, 1-phenyl-2-pyridin-3-ylethanone, 1-Phenyl-2-(pyridin-3-yl)ethan-1-one, alpha-3-Pyridylacetophenone
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H11NO |
| Molecular Weight | 197.08406 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.08406 Da |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CC2=CN=CC=C2 |
| InChIKey | DDEBMFBOWGAMAX-UHFFFAOYSA-N |
Chemical Property Profile of 1-Phenyl-2-(pyridin-3-yl)ethanone
Property Insights of 1-Phenyl-2-(pyridin-3-yl)ethanone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-2-(pyridin-3-yl)ethanone. With a topological polar surface area (TPSA) of 30.0 Ų, 1-Phenyl-2-(pyridin-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-2-(pyridin-3-yl)ethanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Phenyl-2-(pyridin-3-yl)ethanone?
The CAS number of 1-Phenyl-2-(pyridin-3-yl)ethanone is 118225-54-0.
What is the molecular formula of 1-Phenyl-2-(pyridin-3-yl)ethanone?
The molecular formula of 1-Phenyl-2-(pyridin-3-yl)ethanone is C13H11NO.
What is the molecular weight of 1-Phenyl-2-(pyridin-3-yl)ethanone?
The molecular weight of 1-Phenyl-2-(pyridin-3-yl)ethanone is 197.08406 g/mol.
Where can I buy 1-Phenyl-2-(pyridin-3-yl)ethanone?
You can request a quote for 1-Phenyl-2-(pyridin-3-yl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Phenyl-2-(pyridin-3-yl)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-Phenyl-2-(pyridin-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.