5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile
TL;DR: 5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile (CAS 121348-12-7) is a chemical compound with molecular formula C13H15N3O and molecular weight 229.1215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
Also Known As: 5-acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile, 11K-417S, 5-acetyl-6-methyl-2-(pyrrolidin-1-yl)pyridine-3-carbonitrile, 5-acetyl-6-methyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile, 5-acetyl-6-methyl-2-pyrrolidin-1-yl-pyridine-3-carbonitrile
Technical Specifications
| Molecular Formula | C13H15N3O |
| Molecular Weight | 229.1215 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.1215 Da |
| Heavy Atoms | 17 |
| Complexity | 340.0 |
| SMILES | CC1=C(C=C(C(=N1)N2CCCC2)C#N)C(=O)C |
| InChIKey | AJSPMRMCRGNSHE-UHFFFAOYSA-N |
Chemical Property Profile of 5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile
Property Insights of 5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile. With a topological polar surface area (TPSA) of 57.0 Ų, 5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile has 0 hydrogen bond donor(s) and 4 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-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile?
The CAS number of 5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile is 121348-12-7.
What is the molecular formula of 5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile?
The molecular formula of 5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile is C13H15N3O.
What is the molecular weight of 5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile?
The molecular weight of 5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile is 229.1215 g/mol.
Where can I buy 5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile?
You can request a quote for 5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile?
Yes, CoreyChem provides custom synthesis services for 5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.