15432-27-6
3-(1H-INDOL-2-YL)-1-METHYL-PYRIDINIUM, IODIDE
Name3-(1H-INDOL-2-YL)-1-METHYL-PYRIDINIUM, IODIDE
1Identification
【Name】
3-(1H-INDOL-2-YL)-1-METHYL-PYRIDINIUM, IODIDE
【CAS】
【MDL】
MFCD00229496
【English Synonyms】
【Formula】
C14 H13 N2 . I
【MolWeight】
336.171
【Inchi】
InChI=1S/C14H13N2.HI/c1-16-8-4-6-12(10-16)14-9-11-5-2-3-7-13(11)15-14;/h2-10,15H,1H3;1H/q+1;/p-1
【InChIKey】
InChIKey=COCJDVPQTUEDOR-UHFFFAOYSA-M
【SMILES】
C[n+]1cccc(c1)c2cc3ccccc3[nH]2.[I-]
【MOL File】
3-(1H-INDOL-2-YL)-1-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(1H-INDOL-2-YL)-1-METHYL-PYRIDINIUM, IODIDE.cml