2-Pyridinecarboxylic acid, 5-(trifluoromethyl)-


Chemical Name: 2-Pyridinecarboxylic acid, 5-(trifluoromethyl)-
CAS Number: 80194-69-0
Product Number: AG008NBA(AGN-PC-0NCO2U)
Synonyms:
MDL No: MFCD04113632
Molecular Formula: C7H4F3NO2
Molecular Weight: 191.1074

Identification/Properties


Computed Properties
Molecular Weight:
191.109g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
191.019g/mol
Monoisotopic Mass:
191.019g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
204
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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