2-Chloro-5-isocyanatopyridine
TL;DR: 2-Chloro-5-isocyanatopyridine (CAS 125117-96-6) is a chemical compound with molecular formula C6H3ClN2O and molecular weight 153.9934 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-5-isocyanatopyridine
Also Known As: 2-chloro-5-isocyanatopyridine, 2-chloro-5-Isocyanato-pyridine, 6-chloropyridin-3-isocyanate, Pyridine, 2-chloro-5-isocyanato-, 2-(Chloropyridin-5-yl) isocyanate
Technical Specifications
| Molecular Formula | C6H3ClN2O |
| Molecular Weight | 153.9934 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.9934 Da |
| Heavy Atoms | 10 |
| Complexity | 156.0 |
| SMILES | C1=CC(=NC=C1N=C=O)Cl |
| InChIKey | WHENXACISRCOHK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-5-isocyanatopyridine
Property Insights of 2-Chloro-5-isocyanatopyridine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-isocyanatopyridine. With a topological polar surface area (TPSA) of 42.3 Ų, 2-Chloro-5-isocyanatopyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5-isocyanatopyridine 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-Chloro-5-isocyanatopyridine?
The CAS number of 2-Chloro-5-isocyanatopyridine is 125117-96-6.
What is the molecular formula of 2-Chloro-5-isocyanatopyridine?
The molecular formula of 2-Chloro-5-isocyanatopyridine is C6H3ClN2O.
What is the molecular weight of 2-Chloro-5-isocyanatopyridine?
The molecular weight of 2-Chloro-5-isocyanatopyridine is 153.9934 g/mol.
Where can I buy 2-Chloro-5-isocyanatopyridine?
You can request a quote for 2-Chloro-5-isocyanatopyridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-5-isocyanatopyridine?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-5-isocyanatopyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.