879089-64-2
3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)-1,4-DIHYDRO-5H-PYRROLO[3,2-B]PYRIDIN-5-ONE
Name3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)-1,4-DIHYDRO-5H-PYRROLO[3,2-B]PYRIDIN-5-ONE
1Identification
【Name】
3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)-1,4-DIHYDRO-5H-PYRROLO[3,2-B]PYRIDIN-5-ONE
【CAS】
【MDL】
MFCD00890889
【English Synonyms】
【Formula】
C12 H13 N3 O
【MolWeight】
215.255
【Inchi】
InChI=1S/C12H13N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13-14H,4-6H2,(H,15,16)
【InChIKey】
InChIKey=PJYVGMRFPFNZCT-UHFFFAOYSA-N
【SMILES】
c1cc(=O)[nH]c2c1[nH]cc2C3=CCNCC3
【MOL File】
3-(1,2,3,6-TETRAHYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)-1,4-DIHYDRO-5H-PYRROLO[3,2-B]PYRIDIN-5-ONE.cml