Methyl 2-chloropyridine-4-carboxylate
TL;DR: Methyl 2-chloropyridine-4-carboxylate (CAS 205985-98-4) is a chemical compound with molecular formula C7H6ClNO2 and molecular weight 171.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloropyridine-4-carboxylate
Also Known As: Methyl 2-chloroisonicotinate, Methyl 2-chloropyridine-4-carboxylate, Methyl2-chloroisonicotinate, methyl-2-chloroisonicotinate, methyl 2-chloro-4-pyridinecarboxylate
| Molecular Formula | C7H6ClNO2 |
|---|---|
| Molecular Weight | 171.01 g/mol |
| LogP | 1.5216 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.00871 |
| Heavy Atoms | 11 |
| Complexity | 274.898 |
Chemical Identifiers
| CAS Number | 205985-98-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=NC=C1)Cl |
Product Overview
Methyl 2-chloropyridine-4-carboxylate (CAS 205985-98-4), with molecular formula C7H6ClNO2 and molecular weight 171.01 g/mol. IUPAC: methyl 2-chloropyridine-4-carboxylate.
Chemical Property Profile of Methyl 2-chloropyridine-4-carboxylate
Property Insights of Methyl 2-chloropyridine-4-carboxylate
The XLogP value of 1.5216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-chloropyridine-4-carboxylate. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl 2-chloropyridine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-chloropyridine-4-carboxylate 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-chloropyridine-4-carboxylate?
The CAS number of Methyl 2-chloropyridine-4-carboxylate is 205985-98-4.
What is the molecular formula of Methyl 2-chloropyridine-4-carboxylate?
The molecular formula of Methyl 2-chloropyridine-4-carboxylate is C7H6ClNO2.
What is the molecular weight of Methyl 2-chloropyridine-4-carboxylate?
The molecular weight of Methyl 2-chloropyridine-4-carboxylate is 171.01 g/mol.
Where can I buy Methyl 2-chloropyridine-4-carboxylate?
You can request a quote for Methyl 2-chloropyridine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-chloropyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chloropyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.