Ethyl 2-(Trifluoromethyl)pyrimidine-5-carboxylate - CAS 304693-64-9
Catalog: |
BB020607 |
Product Name: |
Ethyl 2-(Trifluoromethyl)pyrimidine-5-carboxylate |
CAS: |
304693-64-9 |
Synonyms: |
2-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester; ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate |
IUPAC Name: | ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate |
Description: | Ethyl 2-(Trifluoromethyl)pyrimidine-5-carboxylate (CAS# 304693-64-9) is used to prepare NF-κB and AP-1 gene inhibitors. |
Molecular Weight: | 220.15 |
Molecular Formula: | C8H7F3N2O2 |
Canonical SMILES: | CCOC(=O)C1=CN=C(N=C1)C(F)(F)F |
InChI: | InChI=1S/C8H7F3N2O2/c1-2-15-6(14)5-3-12-7(13-4-5)8(9,10)11/h3-4H,2H2,1H3 |
InChI Key: | LRUCUGOOQHJEQP-UHFFFAOYSA-N |
Boiling Point: | 194.365 °C at 760 mmHg |
Density: | 1.344 g/cm3 |
LogP: | 1.67210 |
GHS Hazard Statement: | H302 (100%): 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, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2016204374-A | Pharmaceuticals comprising condensed pyrazole derivatives | 20150421 |
WO-2016171181-A1 | 2-substituted fused pyrazole derivatives | 20150421 |
AU-2015359626-A1 | 1,3-thiazol-2-yl substituted benzamides | 20141209 |
EA-032312-B1 | 1,3-TIAZOL-2-IL-SUBSTITUTED BENZAMIDES | 20141209 |
EA-034273-B1 | 1,3-Thiazole-2-yl Substituted Benzamides | 20141209 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.04596196 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.04596196 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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