Phenyl 2,6-dichloro-5-fluoronicotinate
TL;DR: Phenyl 2,6-dichloro-5-fluoronicotinate (CAS 680217-90-7) is a chemical compound with molecular formula C12H6Cl2FNO2 and molecular weight 284.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2,6-dichloro-5-fluoropyridine-3-carboxylate
Also Known As: phenyl 2,6-dichloro-5-fluoronicotinate, phenyl 2,6-dichloro-5-fluoropyridine-3-carboxylate, Phenyl 2,6-dichloro-5-fluoro-3-pyridinecarboxylate, AP-501/41557728, 3-Pyridinecarboxylic acid, 2,6-dichloro-5-fluoro-, phenyl ester
| Molecular Formula | C12H6Cl2FNO2 |
|---|---|
| Molecular Weight | 284.98 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.97595 |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 680217-90-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC(=C(N=C2Cl)Cl)F |
| InChIKey | JLXLKHXCSJIIGF-UHFFFAOYSA-N |
Product Overview
Phenyl 2,6-dichloro-5-fluoronicotinate (CAS 680217-90-7), with molecular formula C12H6Cl2FNO2 and molecular weight 284.98 g/mol. IUPAC: phenyl 2,6-dichloro-5-fluoropyridine-3-carboxylate.
Chemical Property Profile of Phenyl 2,6-dichloro-5-fluoronicotinate
Property Insights of Phenyl 2,6-dichloro-5-fluoronicotinate
The XLogP value of 4.3 indicates that Phenyl 2,6-dichloro-5-fluoronicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Phenyl 2,6-dichloro-5-fluoronicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 2,6-dichloro-5-fluoronicotinate has 0 hydrogen bond donor(s) and 4 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 Phenyl 2,6-dichloro-5-fluoronicotinate?
The CAS number of Phenyl 2,6-dichloro-5-fluoronicotinate is 680217-90-7.
What is the molecular formula of Phenyl 2,6-dichloro-5-fluoronicotinate?
The molecular formula of Phenyl 2,6-dichloro-5-fluoronicotinate is C12H6Cl2FNO2.
What is the molecular weight of Phenyl 2,6-dichloro-5-fluoronicotinate?
The molecular weight of Phenyl 2,6-dichloro-5-fluoronicotinate is 284.98 g/mol.
Where can I buy Phenyl 2,6-dichloro-5-fluoronicotinate?
You can request a quote for Phenyl 2,6-dichloro-5-fluoronicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2,6-dichloro-5-fluoronicotinate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2,6-dichloro-5-fluoronicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.