Pyridinitril
TL;DR: Pyridinitril (CAS 1086-02-8) is a chemical compound with molecular formula C13H5Cl2N3 and molecular weight 272.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dichloro-4-phenylpyridine-3,5-dicarbonitrile
Also Known As: Pyridinitril, Pyridinitrile, Culvan, DDPP, Ciluan
| Molecular Formula | C13H5Cl2N3 |
|---|---|
| Molecular Weight | 272.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.98605 |
| Heavy Atoms | 18 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 1086-02-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)Cl)Cl)C#N |
| InChIKey | OVZITGHGWBXFEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridinitril (CAS 1086-02-8), with molecular formula C13H5Cl2N3 and molecular weight 272.99 g/mol. IUPAC: 2,6-dichloro-4-phenylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of Pyridinitril
Property Insights of Pyridinitril
The XLogP value of 3.8 indicates that Pyridinitril is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinitril. Following Lipinski's Rule of Five, Pyridinitril 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 Pyridinitril?
The CAS number of Pyridinitril is 1086-02-8.
What is the molecular formula of Pyridinitril?
The molecular formula of Pyridinitril is C13H5Cl2N3.
What is the molecular weight of Pyridinitril?
The molecular weight of Pyridinitril is 272.99 g/mol.
Where can I buy Pyridinitril?
You can request a quote for Pyridinitril directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinitril?
Yes, KEHONG BIO provides custom synthesis services for Pyridinitril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.