2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)-
TL;DR: 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)- (CAS 5333-76-6) is a chemical compound with molecular formula C10H11Cl2NO2 and molecular weight 247.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dichlorobutyl)pyridine-2-carboxylic acid
Also Known As: 5-(3,4-Dichlorobutyl)picolinic acid, 5-(3,4-dichlorobutyl)pyridine-2-carboxylic acid, 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)-, 5-(3,4-Dichlorobutyl)-2-pyridinecarboxylic acid, 2-Pyridinecarboxylic acid,5-(3,4-dichlorobutyl)
| Molecular Formula | C10H11Cl2NO2 |
|---|---|
| Molecular Weight | 247.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.01668 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 5333-76-6 |
|---|---|
| SMILES | C1=CC(=NC=C1CCC(CCl)Cl)C(=O)O |
| InChIKey | LQSDMYANSZGGQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)- (CAS 5333-76-6), with molecular formula C10H11Cl2NO2 and molecular weight 247.02 g/mol. IUPAC: 5-(3,4-dichlorobutyl)pyridine-2-carboxylic acid.
Chemical Property Profile of 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)-
Property Insights of 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)-. With a topological polar surface area (TPSA) of 50.2 Ų, 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)- 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 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)-?
The CAS number of 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)- is 5333-76-6.
What is the molecular formula of 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)-?
The molecular formula of 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)- is C10H11Cl2NO2.
What is the molecular weight of 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)-?
The molecular weight of 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)- is 247.02 g/mol.
Where can I buy 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)-?
You can request a quote for 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyridinecarboxylic acid, 5-(3,4-dichlorobutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.