3-Isocyanopyridine
TL;DR: 3-Isocyanopyridine (CAS 85526-38-1) is a chemical compound with molecular formula C6H4N2 and molecular weight 104.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isocyanopyridine
Also Known As: 3-isocyanopyridine, 3-isocyano-pyridine, 3-Pyridinylisocyanid, Pyridine,3-isocyano-, Pyridine, 3-isocyano-
| Molecular Formula | C6H4N2 |
|---|---|
| Molecular Weight | 104.04 g/mol |
| LogP | 1.63239 |
| Topological Polar Surface Area | 17.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 104.037445 |
| Heavy Atoms | 8 |
| Complexity | 197.51855 |
Chemical Identifiers
| CAS Number | 85526-38-1 |
|---|---|
| SMILES | [C-]#[N+]C1=CN=CC=C1 |
Product Overview
3-Isocyanopyridine (CAS 85526-38-1), with molecular formula C6H4N2 and molecular weight 104.04 g/mol. IUPAC: 3-isocyanopyridine.
Chemical Property Profile of 3-Isocyanopyridine
Property Insights of 3-Isocyanopyridine
The XLogP value of 1.63239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isocyanopyridine. With a topological polar surface area (TPSA) of 17.25 Ų, 3-Isocyanopyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isocyanopyridine has 0 hydrogen bond donor(s) and 1 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 3-Isocyanopyridine?
The CAS number of 3-Isocyanopyridine is 85526-38-1.
What is the molecular formula of 3-Isocyanopyridine?
The molecular formula of 3-Isocyanopyridine is C6H4N2.
What is the molecular weight of 3-Isocyanopyridine?
The molecular weight of 3-Isocyanopyridine is 104.04 g/mol.
Where can I buy 3-Isocyanopyridine?
You can request a quote for 3-Isocyanopyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isocyanopyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-Isocyanopyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.