1-(3-Pyridyl)ethan-1-one oxime
TL;DR: 1-(3-Pyridyl)ethan-1-one oxime (CAS 106881-77-0) is a chemical compound with molecular formula C7H8N2O and molecular weight 136.06366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(NZ)-N-(1-pyridin-3-ylethylidene)hydroxylamine
Also Known As: 3-Acetylpyridine oxime, 1-(3-pyridyl)ethan-1-one oxime, 1-Pyridin-3-yl-ethanone oxime, Methyl 3-pyridyl ketoxime, 1-(Pyridin-3-yl)ethanone oxime
Technical Specifications
| Molecular Formula | C7H8N2O |
| Molecular Weight | 136.06366 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.06366 Da |
| Heavy Atoms | 10 |
| Complexity | 134.0 |
| SMILES | C/C(=N/O)/C1=CN=CC=C1 |
| InChIKey | MSRXORUOQNNOKN-TWGQIWQCSA-N |
Chemical Property Profile of 1-(3-Pyridyl)ethan-1-one oxime
Property Insights of 1-(3-Pyridyl)ethan-1-one oxime
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Pyridyl)ethan-1-one oxime. With a topological polar surface area (TPSA) of 45.5 Ų, 1-(3-Pyridyl)ethan-1-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Pyridyl)ethan-1-one oxime has 1 hydrogen bond donor(s) and 3 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-(3-Pyridyl)ethan-1-one oxime?
The CAS number of 1-(3-Pyridyl)ethan-1-one oxime is 106881-77-0.
What is the molecular formula of 1-(3-Pyridyl)ethan-1-one oxime?
The molecular formula of 1-(3-Pyridyl)ethan-1-one oxime is C7H8N2O.
What is the molecular weight of 1-(3-Pyridyl)ethan-1-one oxime?
The molecular weight of 1-(3-Pyridyl)ethan-1-one oxime is 136.06366 g/mol.
Where can I buy 1-(3-Pyridyl)ethan-1-one oxime?
You can request a quote for 1-(3-Pyridyl)ethan-1-one oxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Pyridyl)ethan-1-one oxime?
Yes, CoreyChem provides custom synthesis services for 1-(3-Pyridyl)ethan-1-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.