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2D Structure
Also known as: 573762-62-6, 5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile, 5-amino-3-(trifluoromethyl)-2-pyridinecarbonitrile, Mfcd17010171, 5-amino-2-cyano-3-trifluoromethylpyridine, 5-amino-3-(trifluromethyl) picolinonitrile
Molecular Formula
C7H4F3N3
Molecular Weight
187.12  g/mol
InChI Key
WLMSCOVORZUSNW-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile
2.1.2 InChI
InChI=1S/C7H4F3N3/c8-7(9,10)5-1-4(12)3-13-6(5)2-11/h1,3H,12H2
2.1.3 InChI Key
WLMSCOVORZUSNW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C=NC(=C1C(F)(F)F)C#N)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 573762-62-6

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

3. 5-amino-3-(trifluoromethyl)-2-pyridinecarbonitrile

4. Mfcd17010171

5. 5-amino-2-cyano-3-trifluoromethylpyridine

6. 5-amino-3-(trifluromethyl) Picolinonitrile

7. Schembl909269

8. Dtxsid90543138

9. Amy16499

10. Bcp10064

11. Zinc34080370

12. Akos022186033

13. Cs-w019785

14. Ds-7863

15. Mb69401

16. Da-38030

17. Sy076270

18. 2-cyano-3-(trifluoromethyl)-5-aminopyridine

19. 2-cyano-3-trifluoromethyl-5-(amino)pyridine

20. Ft-0699827

21. A857914

22. 5-amino-2-cyano-3-(trifluoromethyl)pyridine; 5-amino-3-(trifluoromethyl)2-cyanopyridine;5-amino-3-(trifluoromethyl)picolinonitrile

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 187.12 g/mol
Molecular Formula C7H4F3N3
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass187.03573163 g/mol
Monoisotopic Mass187.03573163 g/mol
Topological Polar Surface Area62.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1