Home Carboxys 2-methyl-6-[(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid

2-methyl-6-[(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid

CAS No.:
1564936-16-8
Catalog Number:
AG01C1Y7
Molecular Formula:
C9H9F3N2O2
Molecular Weight:
234.1752
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Product Description
Catalog Number:
AG01C1Y7
Chemical Name:
2-methyl-6-[(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid
CAS Number:
1564936-16-8
Molecular Formula:
C9H9F3N2O2
Molecular Weight:
234.1752
MDL Number:
MFCD26831044
IUPAC Name:
2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid
InChI:
InChI=1S/C9H9F3N2O2/c1-5-2-6(8(15)16)3-7(14-5)13-4-9(10,11)12/h2-3H,4H2,1H3,(H,13,14)(H,15,16)
InChI Key:
OGSYSJBFLBYQMW-UHFFFAOYSA-N
SMILES:
Cc1nc(NCC(F)(F)F)cc(c1)C(=O)O
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.178g/mol
Monoisotopic Mass:
234.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties