Methyl 5-Bromo-2-(trifluoromethyl)isonicotinate - CAS 1211589-41-1
Catalog: |
BB005093 |
Product Name: |
Methyl 5-Bromo-2-(trifluoromethyl)isonicotinate |
CAS: |
1211589-41-1 |
Synonyms: |
5-bromo-2-(trifluoromethyl)-4-pyridinecarboxylic acid methyl ester; methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate |
IUPAC Name: | methyl 5-bromo-2-(trifluoromethyl)pyridine-4-carboxylate |
Description: | Methyl 5-Bromo-2-(trifluoromethyl)isonicotinate (CAS# 1211589-41-1) is a useful research chemical. |
Molecular Weight: | 284.03 |
Molecular Formula: | C8H5BrF3NO2 |
Canonical SMILES: | COC(=O)C1=CC(=NC=C1Br)C(F)(F)F |
InChI: | InChI=1S/C8H5BrF3NO2/c1-15-7(14)4-2-6(8(10,11)12)13-3-5(4)9/h2-3H,1H3 |
InChI Key: | AQNNNSGGBWAUQD-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 2.64950 |
Publication Number | Title | Priority Date |
AU-2018368332-A1 | Novel substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors | 20171114 |
CA-3082108-A1 | Novel substituted biaryl compounds as indoleamine 2,3-dioxygenase (ido) inhibitors | 20171114 |
TW-201922710-A | Novel substituted diaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors | 20171114 |
US-10647705-B2 | Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors | 20171114 |
US-2019144433-A1 | Novel substituted biaryl compounds as indoleamine 2,3-dioxygenase (ido) inhibitors | 20171114 |
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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