Methyl 6-Chloro-5-(trifluoromethyl)picolinate - CAS 1211518-35-2
Catalog: |
BB063705 |
Product Name: |
Methyl 6-Chloro-5-(trifluoromethyl)picolinate |
CAS: |
1211518-35-2 |
Synonyms: |
Methyl-6-Chloro-5-(trifluoromethyl)pyridine-2-carboxylate; 6-Chloro- 5- (trifluoromethyl) -2- pyridinecarboxylic Acid Methyl Ester |
IUPAC Name: | methyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate |
Description: | Methyl 6-Chloro-5-(trifluoromethyl)picolinate is used in preparation of pyridine amides as cannabinoid CB2 receptor agonists. |
Molecular Weight: | 239.58 |
Molecular Formula: | C8H5ClF3NO2 |
Canonical SMILES: | COC(=O)C1=NC(=C(C=C1)C(F)(F)F)Cl |
InChI: | InChI=1S/C8H5ClF3NO2/c1-15-7(14)5-3-2-4(6(9)13-5)8(10,11)12/h2-3H,1H3 |
InChI Key: | PODTYUCVUPUSNR-UHFFFAOYSA-N |
References: | Bissantz, C., et al; PCT Int. Appl. (2012), WO 2012168350 A1 20121213.. |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.9960906 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.9960906 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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