Home Carboxys 6-[(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid

6-[(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid

CAS No.:
1019388-10-3
Catalog Number:
AG01BFPL
Molecular Formula:
C8H7F3N2O2
Molecular Weight:
220.1486
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Product Description
Catalog Number:
AG01BFPL
Chemical Name:
6-[(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
CAS Number:
1019388-10-3
Molecular Formula:
C8H7F3N2O2
Molecular Weight:
220.1486
MDL Number:
MFCD11132208
IUPAC Name:
6-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-6-2-1-5(3-12-6)7(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
InChI Key:
VNOAEIILVJPUPP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(nc1)NCC(F)(F)F
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.151g/mol
Monoisotopic Mass:
220.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties