5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile


Chemical Name: 5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile
CAS Number: 573762-62-6
Product Number: AG0039NO(AGN-PC-00MXYP)
Synonyms:
MDL No:
Molecular Formula: C7H4F3N3
Molecular Weight: 187.1220

Identification/Properties


Computed Properties
Molecular Weight:
187.125g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
0
Exact Mass:
187.036g/mol
Monoisotopic Mass:
187.036g/mol
Topological Polar Surface Area:
62.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
229
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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