Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate
TL;DR: Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate (CAS 885949-63-3) is a chemical compound with molecular formula C9H7ClF3NO2 and molecular weight 253.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate
Also Known As: Methyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)acetate, methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetate, methyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate, Methyl [3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetate, methylchlorotrifluoromethylpyridinylacetate
| Molecular Formula | C9H7ClF3NO2 |
|---|---|
| Molecular Weight | 253.01 g/mol |
| LogP | 2.4693 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.01173 |
| Heavy Atoms | 16 |
| Complexity | 406.23083 |
Chemical Identifiers
| CAS Number | 885949-63-3 |
|---|---|
| SMILES | COC(=O)CC1=C(C=C(C=N1)C(F)(F)F)Cl |
Product Overview
Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate (CAS 885949-63-3), with molecular formula C9H7ClF3NO2 and molecular weight 253.01 g/mol. IUPAC: methyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate.
Chemical Property Profile of Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate
Property Insights of Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate
The XLogP value of 2.4693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate 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 3-chloro-5-(trifluoromethyl)-2-pyridineacetate?
The CAS number of Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate is 885949-63-3.
What is the molecular formula of Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate?
The molecular formula of Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate is C9H7ClF3NO2.
What is the molecular weight of Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate?
The molecular weight of Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate is 253.01 g/mol.
Where can I buy Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate?
You can request a quote for Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chloro-5-(trifluoromethyl)-2-pyridineacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.