Home Carboxys 2-oxo-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-3-carboxylic acid

2-oxo-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-3-carboxylic acid

CAS No.:
1341455-73-9
Catalog Number:
AG01BIYP
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
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Product Description
Catalog Number:
AG01BIYP
Chemical Name:
2-oxo-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-3-carboxylic acid
CAS Number:
1341455-73-9
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
MDL Number:
MFCD19611413
IUPAC Name:
2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H6F3NO3/c9-8(10,11)4-12-3-1-2-5(6(12)13)7(14)15/h1-3H,4H2,(H,14,15)
InChI Key:
YPYGBJOFNDFVDU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccn(c1=O)CC(F)(F)F
Properties
Complexity:
357  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.135g/mol
Monoisotopic Mass:
221.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties