CAS 183208-35-7

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BUILDING BLOCK

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Also known as: 5-bromo-7-azaindole, 183208-35-7, 1h-pyrrolo[2,3-b]pyridine, 5-bromo-, Mfcd06659677, 5-bromo-1h-pyrrolo(2,3-b)pyridine, 1h-pyrrolo(2,3-b)pyridine, 5-bromo-

Molecular Formula

C₇H₅BrN₂

Molecular Weight

197.03 g/mol

InChI Key

LPTVWZSQAIDCEB-UHFFFAOYSA-N

1 2D Structure

CAS 183208-35-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-bromo-1H-pyrrolo[2,3-b]pyridine

2.1.2 InChI

InChI=1S/C7H5BrN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)

2.1.3 InChI Key

LPTVWZSQAIDCEB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5-bromo-7-azaindole

2. 183208-35-7

3. 1h-pyrrolo[2,3-b]pyridine, 5-bromo-

4. Mfcd06659677

5. 5-bromo-1h-pyrrolo(2,3-b)pyridine

6. 1h-pyrrolo(2,3-b)pyridine, 5-bromo-

7. 5-bromo,7-azaindole

8. Ec 629-247-8

9. 5-bromo-7-aza-1h-indole

10. Schembl153413

11. 5-bromo-7-azaindole, 97%

12. Amot0021

13. Dtxsid70437889

14. Act02544

15. Bcp00110

16. Cs-b0096

17. Zinc4352690

18. 5-bromo-1h-pyrrolo[2,3-b]pyridin

19. Ac-192

20. Bbl101485

21. Stl555281

22. Akos005259099

23. 5-bromo-1h-pyrrolo[2,3-b]-pyridine

24. Bcp9000179

25. Fg-0406

26. Pb15851

27. 5-bromanyl-1h-pyrrolo[2,3-b]pyridine

28. Sy002678

29. Db-014184

30. Am20050899

31. B3588

32. Ft-0648836

33. B-5730

34. 208b357

35. A812754

36. 5-bromo-1h-pyrrolo[2,3-b]pyridine Pound>>3-bromo-7h-pyrrolo[2,3-b]pyridine Pound>>1h-pyrrolo(2,3-b)pyridine, 5-bromo- Pound>>5-bromopyrrolo[2,3-b]pyridine

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₇H₅BrN₂
Molecular Weight	197.03 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	195.96361 g/mol
Monoisotopic Mass	195.96361 g/mol
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
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