5-Chloro-2-isocyanopyridine
TL;DR: 5-Chloro-2-isocyanopyridine (CAS 1027746-23-1) is a chemical compound with molecular formula C6H3ClN2 and molecular weight 137.99847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2-isocyanopyridine
Also Known As: 5-chloro-2-isocyanopyridine, 5-chloropyridin-2-isocyanide, Pyridine, 5-chloro-2-isocyano-, AF-399/40963075
Technical Specifications
| Molecular Formula | C6H3ClN2 |
| Molecular Weight | 137.99847 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 17.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.99847 Da |
| Heavy Atoms | 9 |
| Complexity | 137.0 |
| SMILES | [C-]#[N+]C1=NC=C(C=C1)Cl |
| InChIKey | IOOLWTVXWRNWHG-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-2-isocyanopyridine
Property Insights of 5-Chloro-2-isocyanopyridine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-isocyanopyridine. With a topological polar surface area (TPSA) of 17.3 Ų, 5-Chloro-2-isocyanopyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-isocyanopyridine has 0 hydrogen bond donor(s) and 2 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-Chloro-2-isocyanopyridine?
The CAS number of 5-Chloro-2-isocyanopyridine is 1027746-23-1.
What is the molecular formula of 5-Chloro-2-isocyanopyridine?
The molecular formula of 5-Chloro-2-isocyanopyridine is C6H3ClN2.
What is the molecular weight of 5-Chloro-2-isocyanopyridine?
The molecular weight of 5-Chloro-2-isocyanopyridine is 137.99847 g/mol.
Where can I buy 5-Chloro-2-isocyanopyridine?
You can request a quote for 5-Chloro-2-isocyanopyridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-2-isocyanopyridine?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-2-isocyanopyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.