920979-06-2
ETHYL 5-(TRIFLUOROMETHYL)-1H-PYRROLO[3,2-B]PYRIDINE-2-CARBOXYLATE
NameETHYL 5-(TRIFLUOROMETHYL)-1H-PYRROLO[3,2-B]PYRIDINE-2-CARBOXYLATE
1Identification
【Name】
ETHYL 5-(TRIFLUOROMETHYL)-1H-PYRROLO[3,2-B]PYRIDINE-2-CARBOXYLATE
【CAS】
【MDL】
MFCD13196664
【English Synonyms】
【Formula】
C11 H9 F3 N2 O2
【MolWeight】
258.198
【Inchi】
InChI=1S/C11H9F3N2O2/c1-2-18-10(17)8-5-7-6(15-8)3-4-9(16-7)11(12,13)14/h3-5,15H,2H2,1H3
【InChIKey】
InChIKey=GEICUQXGPMXJLV-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc2c([nH]1)ccc(n2)C(F)(F)F
【MOL File】
ETHYL 5-(TRIFLUOROME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 5-(TRIFLUOROMETHYL)-1H-PYRROLO[3,2-B]PYRIDINE-2-CARBOXYLATE.cml