3,5-Dichloroisonicotinic acid
TL;DR: 3,5-Dichloroisonicotinic acid (CAS 13958-93-5) is a chemical compound with molecular formula C6H3Cl2NO2 and molecular weight 190.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloropyridine-4-carboxylic acid
Also Known As: 3,5-Dichloroisonicotinic acid, 3,5-Dichloropyridine-4-carboxylic acid, 4-Pyridinecarboxylic acid, 3,5-dichloro-, 3,5-dichloro-4-pyridinecarboxylic acid, 3?5-Dichloroisonicotinic acid
| Molecular Formula | C6H3Cl2NO2 |
|---|---|
| Molecular Weight | 190.95 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.95409 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 13958-93-5 |
|---|---|
| SMILES | C1=C(C(=C(C=N1)Cl)C(=O)O)Cl |
| InChIKey | BUQPTOSHKHYHHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dichloroisonicotinic acid (CAS 13958-93-5), with molecular formula C6H3Cl2NO2 and molecular weight 190.95 g/mol. IUPAC: 3,5-dichloropyridine-4-carboxylic acid.
Chemical Property Profile of 3,5-Dichloroisonicotinic acid
Property Insights of 3,5-Dichloroisonicotinic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dichloroisonicotinic acid. With a topological polar surface area (TPSA) of 50.2 Ų, 3,5-Dichloroisonicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dichloroisonicotinic acid 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 3,5-Dichloroisonicotinic acid?
The CAS number of 3,5-Dichloroisonicotinic acid is 13958-93-5.
What is the molecular formula of 3,5-Dichloroisonicotinic acid?
The molecular formula of 3,5-Dichloroisonicotinic acid is C6H3Cl2NO2.
What is the molecular weight of 3,5-Dichloroisonicotinic acid?
The molecular weight of 3,5-Dichloroisonicotinic acid is 190.95 g/mol.
Where can I buy 3,5-Dichloroisonicotinic acid?
You can request a quote for 3,5-Dichloroisonicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichloroisonicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichloroisonicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.