Home Nitriles 3-oxo-3-(piperidin-1-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]propanenitrile

3-oxo-3-(piperidin-1-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]propanenitrile

CAS No.:
1050910-31-0
Catalog Number:
AG019M9O
Molecular Formula:
C14H14F3N3O
Molecular Weight:
297.2757
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Product Description
Catalog Number:
AG019M9O
Chemical Name:
3-oxo-3-(piperidin-1-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]propanenitrile
CAS Number:
1050910-31-0
Molecular Formula:
C14H14F3N3O
Molecular Weight:
297.2757
MDL Number:
MFCD10686696
IUPAC Name:
3-oxo-3-piperidin-1-yl-2-[5-(trifluoromethyl)pyridin-2-yl]propanenitrile
InChI:
InChI=1S/C14H14F3N3O/c15-14(16,17)10-4-5-12(19-9-10)11(8-18)13(21)20-6-2-1-3-7-20/h4-5,9,11H,1-3,6-7H2
InChI Key:
YUXDMNOQCYGFAL-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)N1CCCCC1)c1ccc(cn1)C(F)(F)F
Properties
Complexity:
423  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.109g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.281g/mol
Monoisotopic Mass:
297.109g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties