CAS 875781-43-4

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2 End Use APIs
38 Related Intermediates

Chemistry

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Also known as: 875781-43-4, 5-bromo-4,7-diazaindole, 2-bromo-5h-pyrrolo[3,2-b]pyrazine, Mfcd09834822, Chembl3628247, Schembl421369

Molecular Formula

C₆H₄BrN₃

Molecular Weight

198.02 g/mol

InChI Key

KTKMLXBEBKGQGL-UHFFFAOYSA-N

1 2D Structure

CAS 875781-43-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-5H-pyrrolo[2,3-b]pyrazine

2.1.2 InChI

InChI=1S/C6H4BrN3/c7-5-3-9-6-4(10-5)1-2-8-6/h1-3H,(H,8,9)

2.1.3 InChI Key

KTKMLXBEBKGQGL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CNC2=NC=C(N=C21)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 875781-43-4

2. 5-bromo-4,7-diazaindole

3. 2-bromo-5h-pyrrolo[3,2-b]pyrazine

4. Mfcd09834822

5. Chembl3628247

6. Schembl421369

7. Schembl22980418

8. Dtxsid50648618

9. 5-methyl-3-pyridine-1h-pyrazole

10. Ktkmlxbebkgqgl-uhfffaoysa-n

11. Bcp27240

12. Bdbm50127013

13. Sc1651

14. Akos006326434

15. Akos028109150

16. Cs-w008866

17. Fs-3280

18. 2-bromanyl-5h-pyrrolo[2,3-b]pyrazine

19. Ac-23734

20. Bp-30046

21. Sy007444

22. Am20070392

23. Ft-0648057

24. A15862

25. En300-214980

26. A842277

27. J-517067

28. W-205236

29. Z1198233192

2.3 Create Date

2008-12-01

3 Chemical and Physical Properties

Molecular Formula	C₆H₄BrN₃
Molecular Weight	198.02 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	41.6
Heavy Atom Count	10
Formal Charge	0
Complexity	130
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