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

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

CAS No.:
2060040-45-9
Catalog Number:
AG01C0D6
Molecular Formula:
C12H13Cl2F3N4O
Molecular Weight:
357.1590
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Product Description
Catalog Number:
AG01C0D6
Chemical Name:
4-{5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine dihydrochloride
CAS Number:
2060040-45-9
Molecular Formula:
C12H13Cl2F3N4O
Molecular Weight:
357.1590
MDL Number:
MFCD30497941
IUPAC Name:
3-pyridin-4-yl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole;dihydrochloride
InChI:
InChI=1S/C12H11F3N4O.2ClH/c13-12(14,15)11(3-6-17-7-11)10-18-9(19-20-10)8-1-4-16-5-2-8;;/h1-2,4-5,17H,3,6-7H2;2*1H
InChI Key:
RBOAFDOBOWSIEU-UHFFFAOYSA-N
SMILES:
FC(C1(CNCC1)c1onc(n1)c1ccncc1)(F)F.Cl.Cl
Properties
Complexity:
348  
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