866133-18-8
ETHYL 2-(4-PYRIDINYL)-4-(TRIFLUOROMETHYL)-5-PYRIMIDINECARBOXYLATE
NameETHYL 2-(4-PYRIDINYL)-4-(TRIFLUOROMETHYL)-5-PYRIMIDINECARBOXYLATE
1Identification
【Name】
ETHYL 2-(4-PYRIDINYL)-4-(TRIFLUOROMETHYL)-5-PYRIMIDINECARBOXYLATE
【CAS】
【MDL】
MFCD04126016
【English Synonyms】
【Formula】
C13 H10 F3 N3 O2
【MolWeight】
297.235
【Inchi】
InChI=1S/C13H10F3N3O2/c1-2-21-12(20)9-7-18-11(8-3-5-17-6-4-8)19-10(9)13(14,15)16/h3-7H,2H2,1H3
【InChIKey】
InChIKey=QLFNTPCVZOABJI-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnc(nc1C(F)(F)F)c2ccncc2
【MOL File】
ETHYL 2-(4-PYRIDINYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-(4-PYRIDINYL)-4-(TRIFLUOROMETHYL)-5-PYRIMIDINECARBOXYLATE.cml