2-(4-Chloroanilino)nicotinonitrile
TL;DR: 2-(4-Chloroanilino)nicotinonitrile (CAS 17782-07-9) is a chemical compound with molecular formula C12H8ClN3 and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloroanilino)pyridine-3-carbonitrile
Also Known As: 2-(4-chloroanilino)nicotinonitrile, 2-((4-chlorophenyl)amino)nicotinonitrile, 2-(4-chloroanilino)pyridine-3-carbonitrile, J3.330.607E, 2-[(4-Chlorophenyl)amino]pyridine-3-carbonitrile
| Molecular Formula | C12H8ClN3 |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 3.35028 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.04068 |
| Heavy Atoms | 16 |
| Complexity | 528.70526 |
Chemical Identifiers
| CAS Number | 17782-07-9 |
|---|---|
| SMILES | C1=CC(=C(N=C1)NC2=CC=C(C=C2)Cl)C#N |
Product Overview
2-(4-Chloroanilino)nicotinonitrile (CAS 17782-07-9), with molecular formula C12H8ClN3 and molecular weight 229.04 g/mol. IUPAC: 2-(4-chloroanilino)pyridine-3-carbonitrile.
Chemical Property Profile of 2-(4-Chloroanilino)nicotinonitrile
Property Insights of 2-(4-Chloroanilino)nicotinonitrile
The XLogP value of 3.35028 indicates that 2-(4-Chloroanilino)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-Chloroanilino)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloroanilino)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-Chloroanilino)nicotinonitrile?
The CAS number of 2-(4-Chloroanilino)nicotinonitrile is 17782-07-9.
What is the molecular formula of 2-(4-Chloroanilino)nicotinonitrile?
The molecular formula of 2-(4-Chloroanilino)nicotinonitrile is C12H8ClN3.
What is the molecular weight of 2-(4-Chloroanilino)nicotinonitrile?
The molecular weight of 2-(4-Chloroanilino)nicotinonitrile is 229.04 g/mol.
Where can I buy 2-(4-Chloroanilino)nicotinonitrile?
You can request a quote for 2-(4-Chloroanilino)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-Chloroanilino)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloroanilino)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.