CAS 97483-77-7

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Chemistry

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Also known as: 97483-77-7, 5-bromopicolinonitrile, 5-bromo-2-pyridinecarbonitrile, 5-bromopyridine-2-carbonitrile, 2-cyano-5-bromopyridine, 2-pyridinecarbonitrile, 5-bromo-

Molecular Formula

C₆H₃BrN₂

Molecular Weight

183.01 g/mol

InChI Key

DMSHUVBQFSNBBL-UHFFFAOYSA-N

1 2D Structure

CAS 97483-77-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-bromopyridine-2-carbonitrile

2.1.2 InChI

InChI=1S/C6H3BrN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H

2.1.3 InChI Key

DMSHUVBQFSNBBL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=NC=C1Br)C#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 97483-77-7

2. 5-bromopicolinonitrile

3. 5-bromo-2-pyridinecarbonitrile

4. 5-bromopyridine-2-carbonitrile

5. 2-cyano-5-bromopyridine

6. 2-pyridinecarbonitrile, 5-bromo-

7. 3-bromo-6-pyridinecarbonitrile

8. Mfcd00234144

9. 5-bromo-pyridine-2-carbonitrile

10. Torezolid Impurity 13;5-bromo-2-cyanopyridine

11. Tedizolid Intermediates

12. 2-cyano-5-bromopyridin

13. 5-bromo 2-cyanopyridine

14. 2-cyano-5-bromo Pyridine

15. 5-bromo-2-cyano-pyridine

16. 3-bromo-6-cyano-pyridine

17. 5-bromopyridin-2-carbonitrile

18. Schembl156136

19. 5-bromo-pyridin-2-carbonitrile

20. Dtxsid50355754

21. Zinc330869

22. Act01653

23. Bcp00485

24. 5-bromo-2-pyridinecarbonitrile, 97%

25. Akos005255266

26. Ac-1451

27. Cs-w007647

28. Fs-2358

29. Pb21694

30. Bp-10709

31. Sy003393

32. Db-024305

33. Am20061648

34. B3610

35. Ft-0602317

36. 483b777

37. Ac-907/25004485

38. Q-101263

39. 5-bromopicolinonitrile; 5-bromo-2-pyridinecarbonitrile

40. 5-bromopyridine-2-carbonitrile;5-bromo-2-cyanopyridine

2.3 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₆H₃BrN₂
Molecular Weight	183.01 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	181.94796 g/mol
Monoisotopic Mass	181.94796 g/mol
Topological Polar Surface Area	36.7 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	137
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