Home Other Building Blocks 3-{5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine dihydrochloride

3-{5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine dihydrochloride

CAS No.:
2060024-59-9
Catalog Number:
AG01C0D3
Molecular Formula:
C12H13Cl2F3N4O
Molecular Weight:
357.1590
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Product Description
Catalog Number:
AG01C0D3
Chemical Name:
3-{5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine dihydrochloride
CAS Number:
2060024-59-9
Molecular Formula:
C12H13Cl2F3N4O
Molecular Weight:
357.1590
MDL Number:
MFCD30497938
IUPAC Name:
3-pyridin-3-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;dihydrochloride
InChI:
InChI=1S/C12H11F3N4O.2ClH/c13-12(14,15)11(3-5-17-7-11)10-18-9(19-20-10)8-2-1-4-16-6-8;;/h1-2,4,6,17H,3,5,7H2;2*1H
InChI Key:
DFWAWXJOYIJYFW-UHFFFAOYSA-N
SMILES:
FC(C1(CNCC1)c1onc(n1)c1cccnc1)(F)F.Cl.Cl
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.042g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
357.158g/mol
Monoisotopic Mass:
356.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties