二氯吡啶酸
TL;DR: 二氯吡啶酸 (CAS 1702-17-6) 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.
二氯吡啶酸
3,6-dichloropyridine-2-carboxylic acid
Also Known As: 3,6-Dichloropicolinic acid, 3,6-Dichloropyridine-2-carboxylic acid, Versatill, Cirtoxin, Matrigon
| Molecular Formula | C6H3Cl2NO2 |
|---|---|
| Molecular Weight | 190.95 g/mol |
| LogP | 2.3 |
| 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 | 165.0 |
| Melting Point | 151-152 °C |
| Solubility | In water, 7.85X10+3 mg/L (distilled water); 188 g/L at pH 5, 143 g/L ay pH 7; 157 g/L at pH 9, all at 20 °C |
| Vapor Pressure | 0.000012 [mmHg] |
Chemical Identifiers
| CAS Number | 1702-17-6 |
|---|---|
| SMILES | C1=CC(=NC(=C1Cl)C(=O)O)Cl |
| InChIKey | HUBANNPOLNYSAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氯吡啶酸 (CAS 1702-17-6), with molecular formula C6H3Cl2NO2 and molecular weight 190.95 g/mol. IUPAC: 3,6-dichloropyridine-2-carboxylic acid.
Chemical Property Profile of 二氯吡啶酸
Property Insights of 二氯吡啶酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氯吡啶酸. With a topological polar surface area (TPSA) of 50.2 Ų, 二氯吡啶酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氯吡啶酸 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 二氯吡啶酸?
The CAS number of 二氯吡啶酸 is 1702-17-6.
What is the molecular formula of 二氯吡啶酸?
The molecular formula of 二氯吡啶酸 is C6H3Cl2NO2.
What is the molecular weight of 二氯吡啶酸?
The molecular weight of 二氯吡啶酸 is 190.95 g/mol.
Where can I buy 二氯吡啶酸?
You can request a quote for 二氯吡啶酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氯吡啶酸?
Yes, KEHONG BIO provides custom synthesis services for 二氯吡啶酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.