Methyl 2,5-Dichloronicotinate
TL;DR: Methyl 2,5-Dichloronicotinate (CAS 67754-03-4) is a chemical compound with molecular formula C7H5Cl2NO2 and molecular weight 204.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,5-dichloropyridine-3-carboxylate
Also Known As: methyl 2,5-dichloronicotinate, methyl 2,5-dichloropyridine-3-carboxylate, Methyl2,5-dichloronicotinate, Methyl 2,5-dichloronicotite, 6-(4-Chlorophenoxy)nicotinonitrile
| Molecular Formula | C7H5Cl2NO2 |
|---|---|
| Molecular Weight | 204.97 g/mol |
| LogP | 2.175 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.96973 |
| Heavy Atoms | 12 |
| Complexity | 314.27472 |
Chemical Identifiers
| CAS Number | 67754-03-4 |
|---|---|
| SMILES | COC(=O)C1=C(N=CC(=C1)Cl)Cl |
Product Overview
Methyl 2,5-Dichloronicotinate (CAS 67754-03-4), with molecular formula C7H5Cl2NO2 and molecular weight 204.97 g/mol. IUPAC: methyl 2,5-dichloropyridine-3-carboxylate.
Chemical Property Profile of Methyl 2,5-Dichloronicotinate
Property Insights of Methyl 2,5-Dichloronicotinate
The XLogP value of 2.175 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,5-Dichloronicotinate. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl 2,5-Dichloronicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,5-Dichloronicotinate 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 Methyl 2,5-Dichloronicotinate?
The CAS number of Methyl 2,5-Dichloronicotinate is 67754-03-4.
What is the molecular formula of Methyl 2,5-Dichloronicotinate?
The molecular formula of Methyl 2,5-Dichloronicotinate is C7H5Cl2NO2.
What is the molecular weight of Methyl 2,5-Dichloronicotinate?
The molecular weight of Methyl 2,5-Dichloronicotinate is 204.97 g/mol.
Where can I buy Methyl 2,5-Dichloronicotinate?
You can request a quote for Methyl 2,5-Dichloronicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,5-Dichloronicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,5-Dichloronicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.