Home Aminos 3-(Boc-amino)-5-trifluoromethyl-pyridine

3-(Boc-amino)-5-trifluoromethyl-pyridine

CAS No.:
1187055-61-3
Catalog Number:
AG0092GK
Molecular Formula:
C11H13F3N2O2
Molecular Weight:
262.2283
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Product Description
Catalog Number:
AG0092GK
Chemical Name:
3-(Boc-amino)-5-trifluoromethyl-pyridine
CAS Number:
1187055-61-3
Molecular Formula:
C11H13F3N2O2
Molecular Weight:
262.2283
MDL Number:
MFCD22201173
IUPAC Name:
tert-butyl N-[5-(trifluoromethyl)pyridin-3-yl]carbamate
InChI:
InChI=1S/C11H13F3N2O2/c1-10(2,3)18-9(17)16-8-4-7(5-15-6-8)11(12,13)14/h4-6H,1-3H3,(H,16,17)
InChI Key:
FPMPSEZVIVLPGK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cncc(c1)C(F)(F)F
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.093g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.232g/mol
Monoisotopic Mass:
262.093g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties