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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

CAS 573762-62-6
1 2D Structure

CAS 573762-62-6

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

BUILDING BLOCK

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