Methyl 5-Bromo-2-(trifluoromethyl)nicotinate - CAS 850864-56-1
Catalog: |
BB037466 |
Product Name: |
Methyl 5-Bromo-2-(trifluoromethyl)nicotinate |
CAS: |
850864-56-1 |
Synonyms: |
5-bromo-2-(trifluoromethyl)-3-pyridinecarboxylic acid methyl ester; methyl 5-bromo-2-(trifluoromethyl)pyridine-3-carboxylate |
IUPAC Name: | methyl 5-bromo-2-(trifluoromethyl)pyridine-3-carboxylate |
Description: | Methyl 5-Bromo-2-(trifluoromethyl)nicotinate (CAS# 850864-56-1 ) is a useful research chemical. |
Molecular Weight: | 284.03 |
Molecular Formula: | C8H5BrF3NO2 |
Canonical SMILES: | COC(=O)C1=CC(=CN=C1C(F)(F)F)Br |
InChI: | InChI=1S/C8H5BrF3NO2/c1-15-7(14)5-2-4(9)3-13-6(5)8(10,11)12/h2-3H,1H3 |
InChI Key: | WKTGGZGFWIAWRD-UHFFFAOYSA-N |
LogP: | 0.00000 |
Publication Number | Title | Priority Date |
US-2020031801-A1 | Therapeutic heterocyclic compounds | 20180706 |
WO-2020010200-A1 | Therapeutic heterocyclic compounds | 20180706 |
AU-2019297362-A1 | Therapeutic heterocyclic compounds | 20180706 |
CN-112384505-A | Therapeutic heterocyclic compounds | 20180706 |
KR-20210029225-A | Therapeutic heterocyclic compounds | 20180706 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.94558 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.94558 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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