3-Isocyanatopyridine
TL;DR: 3-Isocyanatopyridine (CAS 15268-31-2) is a chemical compound with molecular formula C6H4N2O and molecular weight 120.032364 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-isocyanatopyridine
Also Known As: 3-isocyanatopyridine, Pyridine-3-isocyanate, 3-Pyridyl isocyanate, null, Pyridine, 3-isocyanato-
Technical Specifications
| Molecular Formula | C6H4N2O |
| Molecular Weight | 120.032364 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.032364 Da |
| Heavy Atoms | 9 |
| Complexity | 129.0 |
| SMILES | C1=CC(=CN=C1)N=C=O |
| InChIKey | SHVVSKCXWMEDRW-UHFFFAOYSA-N |
Chemical Property Profile of 3-Isocyanatopyridine
Property Insights of 3-Isocyanatopyridine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isocyanatopyridine. With a topological polar surface area (TPSA) of 42.3 Ų, 3-Isocyanatopyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Isocyanatopyridine?
The CAS number of 3-Isocyanatopyridine is 15268-31-2.
What is the molecular formula of 3-Isocyanatopyridine?
The molecular formula of 3-Isocyanatopyridine is C6H4N2O.
What is the molecular weight of 3-Isocyanatopyridine?
The molecular weight of 3-Isocyanatopyridine is 120.032364 g/mol.
Where can I buy 3-Isocyanatopyridine?
You can request a quote for 3-Isocyanatopyridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Isocyanatopyridine?
Yes, CoreyChem provides custom synthesis services for 3-Isocyanatopyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.