Methyl 5-bromo-3-(trifluoromethyl)-2-pyridinecarboxylate - CAS 1214328-84-3
Catalog: |
BB075967 |
Product Name: |
Methyl 5-bromo-3-(trifluoromethyl)-2-pyridinecarboxylate |
CAS: |
1214328-84-3 |
Synonyms: |
METHYL 5-BROMO-3-(TRIFLUOROMETHYL)PICOLINATE; Methyl 5-bromo-3-(trifluoromethyl)-2-pyridinecarboxylate; methyl 5-bromo-3-(trifluoromethyl)pyridine-2-carboxylate |
IUPAC Name: | methyl 5-bromo-3-(trifluoromethyl)pyridine-2-carboxylate |
Description: | Methyl 5-bromo-3-(trifluoromethyl)-2-pyridinecarboxylate |
Molecular Weight: | 284.03 |
Molecular Formula: | C8H5BrF3NO2 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=N1)Br)C(F)(F)F |
InChI: | InChI=1S/C8H5BrF3NO2/c1-15-7(14)6-5(8(10,11)12)2-4(9)3-13-6/h2-3H,1H3 |
InChI Key: | YRYMNZJJAFOWHH-UHFFFAOYSA-N |
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: | 39.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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