299167-66-1
METHYL 3-AMINO-6-PHENYL-4-(TRIFLUOROMETHYL)THIENO(2,3-B)PYRIDINE-2-CARBOXYLATE
NameMETHYL 3-AMINO-6-PHENYL-4-(TRIFLUOROMETHYL)THIENO(2,3-B)PYRIDINE-2-CARBOXYLATE
FormulaC16 H11 F3 N2 O2 S
1Identification
【Name】
METHYL 3-AMINO-6-PHENYL-4-(TRIFLUOROMETHYL)THIENO(2,3-B)PYRIDINE-2-CARBOXYLATE
【CAS】
【MDL】
MFCD01085749
【English Synonyms】
【Formula】
C16 H11 F3 N2 O2 S
【MolWeight】
352.335
【Inchi】
InChI=1S/C16H11F3N2O2S/c1-23-15(22)13-12(20)11-9(16(17,18)19)7-10(21-14(11)24-13)8-5-3-2-4-6-8/h2-7H,20H2,1H3
【InChIKey】
InChIKey=RXXFFXYTDCKZKD-UHFFFAOYSA-N
【SMILES】
COC(=O)c1c(c2c(cc(nc2s1)c3ccccc3)C(F)(F)F)N
【MOL File】
METHYL 3-AMINO-6-PHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 3-AMINO-6-PHENYL-4-(TRIFLUOROMETHYL)THIENO(2,3-B)PYRIDINE-2-CARBOXYLATE.cml