5-Bromo-2-(trifluoromethyl)pyrimidine - CAS 799557-86-1
Catalog: |
BB036436 |
Product Name: |
5-Bromo-2-(trifluoromethyl)pyrimidine |
CAS: |
799557-86-1 |
Synonyms: |
5-bromo-2-(trifluoromethyl)pyrimidine; 5-bromo-2-(trifluoromethyl)pyrimidine |
IUPAC Name: | 5-bromo-2-(trifluoromethyl)pyrimidine |
Description: | 5-Bromo-2-trifluoromethylpyrimidine was used in the preparation of pyrimidinone compounds as Lp-PLA2 inhibitors. |
Molecular Weight: | 226.98 |
Molecular Formula: | C5H2BrF3N2 |
Canonical SMILES: | C1=C(C=NC(=N1)C(F)(F)F)Br |
InChI: | InChI=1S/C5H2BrF3N2/c6-3-1-10-4(11-2-3)5(7,8)9/h1-2H |
InChI Key: | GIFDWXWNFKZVEI-UHFFFAOYSA-N |
Boiling Point: | 139.798 °C at 760 mmHg |
Density: | 1.808 g/cm3 |
Appearance: | White crystals |
MDL: | MFCD09754046 |
LogP: | 2.25790 |
GHS Hazard Statement: | H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021099527-A1 | Pyrrolidine derivatives | 20191122 |
WO-2021045159-A1 | Therapeutic or prophylactic method for diabetes using combination medicine | 20190904 |
WO-2021045161-A1 | Chronic kidney disease treatment or prevention method | 20190904 |
WO-2020203609-A1 | Use of t-type calcium channel blocker for treating pruritus | 20190329 |
WO-2020203610-A1 | Use of t-type calcium channel blocker for treating rheumatoid arthritis | 20190329 |
Complexity: | 130 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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