Pyridine, 3-(1-isocyanoethyl)-
TL;DR: Pyridine, 3-(1-isocyanoethyl)- (CAS 84952-90-9) is a chemical compound with molecular formula C8H8N2 and molecular weight 132.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-isocyanoethyl)pyridine
Also Known As: 3-(1-isocyanoethyl)pyridine, Pyridine, 3-(1-isocyanoethyl)-, 1-(3-pyridyl)ethyl isocyanide, RefChem:376691
| Molecular Formula | C8H8N2 |
|---|---|
| Molecular Weight | 132.07 g/mol |
| LogP | 2.06189 |
| Topological Polar Surface Area | 17.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.06874 |
| Heavy Atoms | 10 |
| Complexity | 235.18454 |
Chemical Identifiers
| CAS Number | 84952-90-9 |
|---|---|
| SMILES | CC(C1=CN=CC=C1)[N+]#[C-] |
Product Overview
Pyridine, 3-(1-isocyanoethyl)- (CAS 84952-90-9), with molecular formula C8H8N2 and molecular weight 132.07 g/mol. IUPAC: 3-(1-isocyanoethyl)pyridine.
Chemical Property Profile of Pyridine, 3-(1-isocyanoethyl)-
Property Insights of Pyridine, 3-(1-isocyanoethyl)-
The XLogP value of 2.06189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 3-(1-isocyanoethyl)-. With a topological polar surface area (TPSA) of 17.25 Ų, Pyridine, 3-(1-isocyanoethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 3-(1-isocyanoethyl)- 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 Pyridine, 3-(1-isocyanoethyl)-?
The CAS number of Pyridine, 3-(1-isocyanoethyl)- is 84952-90-9.
What is the molecular formula of Pyridine, 3-(1-isocyanoethyl)-?
The molecular formula of Pyridine, 3-(1-isocyanoethyl)- is C8H8N2.
What is the molecular weight of Pyridine, 3-(1-isocyanoethyl)-?
The molecular weight of Pyridine, 3-(1-isocyanoethyl)- is 132.07 g/mol.
Where can I buy Pyridine, 3-(1-isocyanoethyl)-?
You can request a quote for Pyridine, 3-(1-isocyanoethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 3-(1-isocyanoethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 3-(1-isocyanoethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.