3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-
TL;DR: 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- (CAS 99902-93-9) is a chemical compound with molecular formula C12H6Cl2N2O and molecular weight 263.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile
Also Known As: 2-(3,4-dichlorophenoxy)nicotinonitrile, 2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile, 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-, 2-(3,4-DICHLOROPHENOXY)-3-PYRIDINECARBONITRILE
| Molecular Formula | C12H6Cl2N2O |
|---|---|
| Molecular Weight | 263.99 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 45.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.98572 |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 99902-93-9 |
|---|---|
| SMILES | C1=CC(=C(N=C1)OC2=CC(=C(C=C2)Cl)Cl)C#N |
| InChIKey | XYVUJRFTULRGGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- (CAS 99902-93-9), with molecular formula C12H6Cl2N2O and molecular weight 263.99 g/mol. IUPAC: 2-(3,4-dichlorophenoxy)pyridine-3-carbonitrile.
Chemical Property Profile of 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-
Property Insights of 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-
The XLogP value of 3.7 indicates that 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.9 Ų, 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- 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 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-?
The CAS number of 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- is 99902-93-9.
What is the molecular formula of 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-?
The molecular formula of 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- is C12H6Cl2N2O.
What is the molecular weight of 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-?
The molecular weight of 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- is 263.99 g/mol.
Where can I buy 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-?
You can request a quote for 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarbonitrile, 2-(3,4-dichlorophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.