5-Bromo-4-(trifluoromethyl)pyrimidine - CAS 785777-88-0
Catalog: |
BB036192 |
Product Name: |
5-Bromo-4-(trifluoromethyl)pyrimidine |
CAS: |
785777-88-0 |
Synonyms: |
5-bromo-4-(trifluoromethyl)pyrimidine; 5-bromo-4-(trifluoromethyl)pyrimidine |
IUPAC Name: | 5-bromo-4-(trifluoromethyl)pyrimidine |
Description: | 5-Bromo-4-(trifluoromethyl)pyrimidine (CAS# 785777-88-0) is a reagent used in the preparation of versatile intermediates for organic and pharmaceutical chemistry. |
Molecular Weight: | 226.98 |
Molecular Formula: | C5H2BrF3N2 |
Canonical SMILES: | C1=C(C(=NC=N1)C(F)(F)F)Br |
InChI: | InChI=1S/C5H2BrF3N2/c6-3-1-10-2-11-4(3)5(7,8)9/h1-2H |
InChI Key: | XQBMNXRFVINPTJ-UHFFFAOYSA-N |
Boiling Point: | 201.7 °C at 760 mmHg |
Density: | 1.807 g/cm3 |
LogP: | 2.25790 |
Publication Number | Title | Priority Date |
CN-112778276-A | Compound as SHP2 inhibitor and application thereof | 20191108 |
WO-2021088945-A1 | Compound as shp2 inhibitor and use thereof | 20191108 |
WO-2020229968-A1 | Non-lysosomal glucosylceramidase inhibitors and uses thereof | 20190510 |
US-2020102288-A1 | Wdr5 inhibitors and modulators | 20180614 |
US-10844044-B2 | WDR5 inhibitors and modulators | 20180614 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.93535 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.93535 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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