2-((4-Chlorobenzyl)amino)nicotinonitrile
TL;DR: 2-((4-Chlorobenzyl)amino)nicotinonitrile (CAS 796079-02-2) is a chemical compound with molecular formula C13H10ClN3 and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylamino]pyridine-3-carbonitrile
Also Known As: 2-((4-Chlorobenzyl)amino)nicotinonitrile, 2-[(4-chlorobenzyl)amino]nicotinonitrile, AB00729783-01, 2-[(4-chlorophenyl)methylamino]pyridine-3-carbonitrile
| Molecular Formula | C13H10ClN3 |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 3.21878 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.05632 |
| Heavy Atoms | 17 |
| Complexity | 543.3362 |
Chemical Identifiers
| CAS Number | 796079-02-2 |
|---|---|
| SMILES | C1=CC(=C(N=C1)NCC2=CC=C(C=C2)Cl)C#N |
Product Overview
2-((4-Chlorobenzyl)amino)nicotinonitrile (CAS 796079-02-2), with molecular formula C13H10ClN3 and molecular weight 243.06 g/mol. IUPAC: 2-[(4-chlorophenyl)methylamino]pyridine-3-carbonitrile.
Chemical Property Profile of 2-((4-Chlorobenzyl)amino)nicotinonitrile
Property Insights of 2-((4-Chlorobenzyl)amino)nicotinonitrile
The XLogP value of 3.21878 indicates that 2-((4-Chlorobenzyl)amino)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, 2-((4-Chlorobenzyl)amino)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Chlorobenzyl)amino)nicotinonitrile has 1 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-((4-Chlorobenzyl)amino)nicotinonitrile?
The CAS number of 2-((4-Chlorobenzyl)amino)nicotinonitrile is 796079-02-2.
What is the molecular formula of 2-((4-Chlorobenzyl)amino)nicotinonitrile?
The molecular formula of 2-((4-Chlorobenzyl)amino)nicotinonitrile is C13H10ClN3.
What is the molecular weight of 2-((4-Chlorobenzyl)amino)nicotinonitrile?
The molecular weight of 2-((4-Chlorobenzyl)amino)nicotinonitrile is 243.06 g/mol.
Where can I buy 2-((4-Chlorobenzyl)amino)nicotinonitrile?
You can request a quote for 2-((4-Chlorobenzyl)amino)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Chlorobenzyl)amino)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chlorobenzyl)amino)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.