5-Acetyl-2-chloro-6-methylnicotinonitrile
TL;DR: 5-Acetyl-2-chloro-6-methylnicotinonitrile (CAS 121348-15-0) is a chemical compound with molecular formula C9H7ClN2O and molecular weight 194.02469 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetyl-2-chloro-6-methylpyridine-3-carbonitrile
Also Known As: 5-acetyl-2-chloro-6-methylnicotinonitrile, 5-acetyl-2-chloro-6-methylpyridine-3-carbonitrile, acetylchloromethylnicotinonitrile, 1115AD, 10K-414S
Technical Specifications
| Molecular Formula | C9H7ClN2O |
| Molecular Weight | 194.02469 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 53.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.02469 Da |
| Heavy Atoms | 13 |
| Complexity | 258.0 |
| SMILES | CC1=C(C=C(C(=N1)Cl)C#N)C(=O)C |
| InChIKey | BPRSEFHIDZKEAD-UHFFFAOYSA-N |
Chemical Property Profile of 5-Acetyl-2-chloro-6-methylnicotinonitrile
Property Insights of 5-Acetyl-2-chloro-6-methylnicotinonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2-chloro-6-methylnicotinonitrile. With a topological polar surface area (TPSA) of 53.8 Ų, 5-Acetyl-2-chloro-6-methylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-2-chloro-6-methylnicotinonitrile has 0 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 5-Acetyl-2-chloro-6-methylnicotinonitrile?
The CAS number of 5-Acetyl-2-chloro-6-methylnicotinonitrile is 121348-15-0.
What is the molecular formula of 5-Acetyl-2-chloro-6-methylnicotinonitrile?
The molecular formula of 5-Acetyl-2-chloro-6-methylnicotinonitrile is C9H7ClN2O.
What is the molecular weight of 5-Acetyl-2-chloro-6-methylnicotinonitrile?
The molecular weight of 5-Acetyl-2-chloro-6-methylnicotinonitrile is 194.02469 g/mol.
Where can I buy 5-Acetyl-2-chloro-6-methylnicotinonitrile?
You can request a quote for 5-Acetyl-2-chloro-6-methylnicotinonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Acetyl-2-chloro-6-methylnicotinonitrile?
Yes, CoreyChem provides custom synthesis services for 5-Acetyl-2-chloro-6-methylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.