204394-59-2
2-(3-PYRIDINYL)-6-(TRIFLUOROMETHYL)-4(3H)-PYRIMIDINONE
Name2-(3-PYRIDINYL)-6-(TRIFLUOROMETHYL)-4(3H)-PYRIMIDINONE
1Identification
【Name】
2-(3-PYRIDINYL)-6-(TRIFLUOROMETHYL)-4(3H)-PYRIMIDINONE
【CAS】
【MDL】
MFCD16988124
【English Synonyms】
【Formula】
C10 H6 F3 N3 O
【MolWeight】
241.171
【Inchi】
InChI=1S/C10H6F3N3O/c11-10(12,13)7-4-8(17)16-9(15-7)6-2-1-3-14-5-6/h1-5H,(H,15,16,17)
【InChIKey】
InChIKey=AXOWDDVEWIYBFK-UHFFFAOYSA-N
【SMILES】
c1cc(cnc1)c2[nH]c(=O)cc(n2)C(F)(F)F
【MOL File】
2-(3-PYRIDINYL)-6-(T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(3-PYRIDINYL)-6-(TRIFLUOROMETHYL)-4(3H)-PYRIMIDINONE.cml