3-Bromo-6-(trifluoromethyl)pyridine-2-carboxylic Acid Methyl Ester - CAS 1211538-62-3
Catalog: |
BB005075 |
Product Name: |
3-Bromo-6-(trifluoromethyl)pyridine-2-carboxylic Acid Methyl Ester |
CAS: |
1211538-62-3 |
Synonyms: |
3-bromo-6-(trifluoromethyl)-2-pyridinecarboxylic acid methyl ester; methyl 3-bromo-6-(trifluoromethyl)pyridine-2-carboxylate |
IUPAC Name: | methyl 3-bromo-6-(trifluoromethyl)pyridine-2-carboxylate |
Description: | 3-Bromo-6-(trifluoromethyl)pyridine-2-carboxylic Acid Methyl Ester (CAS# 1211538-62-3) is a useful research chemical. |
Molecular Weight: | 284.03 |
Molecular Formula: | C8H5BrF3NO2 |
Canonical SMILES: | COC(=O)C1=C(C=CC(=N1)C(F)(F)F)Br |
InChI: | InChI=1S/C8H5BrF3NO2/c1-15-7(14)6-4(9)2-3-5(13-6)8(10,11)12/h2-3H,1H3 |
InChI Key: | FZNHWZAWAMWBSA-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 2.64950 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021011713-A1 | Imidazopyrimidines as eed inhibitors and the use thereof | 20190716 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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