![2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile structure](/static/products/158/158585-16-1.webp)
2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile
TL;DR: 2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile (CAS 158585-16-1) is a chemical compound with molecular formula C12H15N3 and molecular weight 201.1266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile
Also Known As: 1-Methyl-5beta-(3-pyridyl)pyrrolidine-3alpha-acetonitrile, 2-(1-methyl-5-(pyridin-3-yl)pyrrolidin-3-yl)acetonitrile, 2-[(3S,5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-3-yl]acetonitrile, 2-[(3S,5S)-1-methyl-5-pyridin-3-yl-pyrrolidin-3-yl]acetonitrile
Technical Specifications
| Molecular Formula | C12H15N3 |
| Molecular Weight | 201.1266 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.1266 Da |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
| SMILES | CN1C[C@@H](C[C@H]1C2=CN=CC=C2)CC#N |
| InChIKey | BRMNFBYIAHDWSW-PWSUYJOCSA-N |
Chemical Property Profile of 2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile
Property Insights of 2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile. With a topological polar surface area (TPSA) of 39.9 Ų, 2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile 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 2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile?
The CAS number of 2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile is 158585-16-1.
What is the molecular formula of 2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile?
The molecular formula of 2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile is C12H15N3.
What is the molecular weight of 2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile?
The molecular weight of 2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile is 201.1266 g/mol.
Where can I buy 2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile?
You can request a quote for 2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.