52833-43-9
6-BROMO-2-(TRIFLUOROMETHYL)PYRIDO[2,3-D]PYRIMIDIN-4(3H)-ONE
Name6-BROMO-2-(TRIFLUOROMETHYL)PYRIDO[2,3-D]PYRIMIDIN-4(3H)-ONE
1Identification
【Name】
6-BROMO-2-(TRIFLUOROMETHYL)PYRIDO[2,3-D]PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD22377559
【English Synonyms】
【Formula】
C8 H3 Br F3 N3 O
【MolWeight】
294.03
【Inchi】
InChI=1S/C8H3BrF3N3O/c9-3-1-4-5(13-2-3)14-7(8(10,11)12)15-6(4)16/h1-2H,(H,13,14,15,16)
【InChIKey】
InChIKey=LEMQPFCUXJPYLE-UHFFFAOYSA-N
【SMILES】
c1c(cnc2c1c(=O)[nH]c(n2)C(F)(F)F)Br
【MOL File】
6-BROMO-2-(TRIFLUORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
6-BROMO-2-(TRIFLUOROMETHYL)PYRIDO[2,3-D]PYRIMIDIN-4(3H)-ONE.cml