1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,6-difluoropyrazine-2-carbonitrile

2.1.2 InChI

InChI=1S/C5HF2N3/c6-4-2-9-5(7)3(1-8)10-4/h2H

2.1.3 InChI Key

ONECIHYIQJRNTP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(N=C(C(=N1)F)C#N)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 356783-28-3

2. 3,6-difluoro-2-pyrazinecarbonitrile

3. Mfcd22199270

4. 2-pyrazinecarbonitrile,3,6-difluoro-

5. Ampz0001

6. Schembl1338236

7. Dtxsid00627392

8. Bcp28347

9. Zinc77011405

10. Akos005166866

11. Am85411

12. Ac-33289

13. As-47169

14. Sy239763

15. Cs-0000095

16. Ft-0686296

17. F12442

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₅HF₂N₃
Molecular Weight	141.08 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	141.01385337 g/mol
Monoisotopic Mass	141.01385337 g/mol
Topological Polar Surface Area	49.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	164
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

CAS 356783-28-3