2-Isocyanatopyridine
TL;DR: 2-Isocyanatopyridine (CAS 4737-19-3) is a chemical compound with molecular formula C6H4N2O and molecular weight 120.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanatopyridine
Also Known As: 2-Isocyanatopyridine, 2-ISOCYANATO-PYRIDINE, 2-Pyridyl Isocyanate, Pyridylisocyanat, Picolinic Isocyanate
| Molecular Formula | C6H4N2O |
|---|---|
| Molecular Weight | 120.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.032364 |
| Heavy Atoms | 9 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 4737-19-3 |
|---|---|
| SMILES | C1=CC=NC(=C1)N=C=O |
| InChIKey | CUIGSPBMMQWNLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isocyanatopyridine (CAS 4737-19-3), with molecular formula C6H4N2O and molecular weight 120.03 g/mol. IUPAC: 2-isocyanatopyridine.
Chemical Property Profile of 2-Isocyanatopyridine
Property Insights of 2-Isocyanatopyridine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isocyanatopyridine. With a topological polar surface area (TPSA) of 42.3 Ų, 2-Isocyanatopyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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
Frequently Asked Questions
What is the CAS number of 2-Isocyanatopyridine?
The CAS number of 2-Isocyanatopyridine is 4737-19-3.
What is the molecular formula of 2-Isocyanatopyridine?
The molecular formula of 2-Isocyanatopyridine is C6H4N2O.
What is the molecular weight of 2-Isocyanatopyridine?
The molecular weight of 2-Isocyanatopyridine is 120.03 g/mol.
Where can I buy 2-Isocyanatopyridine?
You can request a quote for 2-Isocyanatopyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isocyanatopyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyanatopyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.