Isopropyl isonicotinate
TL;DR: Isopropyl isonicotinate (CAS 125294-42-0) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl pyridine-4-carboxylate
Also Known As: isopropyl pyridine-4-carboxylate, ISOPROPYL ISONICOTINATE, propan-2-yl pyridine-4-carboxylate, Isonicotinsaeure-isopropylester, Isonicotinic acid isopropyl ester
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.07898 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.07898 Da |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
| SMILES | CC(C)OC(=O)C1=CC=NC=C1 |
| InChIKey | FBDVYRNKUYCAGB-UHFFFAOYSA-N |
Chemical Property Profile of Isopropyl isonicotinate
Property Insights of Isopropyl isonicotinate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl isonicotinate. With a topological polar surface area (TPSA) of 39.2 Ų, Isopropyl isonicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl isonicotinate 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 Isopropyl isonicotinate?
The CAS number of Isopropyl isonicotinate is 125294-42-0.
What is the molecular formula of Isopropyl isonicotinate?
The molecular formula of Isopropyl isonicotinate is C9H11NO2.
What is the molecular weight of Isopropyl isonicotinate?
The molecular weight of Isopropyl isonicotinate is 165.07898 g/mol.
Where can I buy Isopropyl isonicotinate?
You can request a quote for Isopropyl isonicotinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isopropyl isonicotinate?
Yes, CoreyChem provides custom synthesis services for Isopropyl isonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.