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2D Structure
Also known as: 1h-pyrrolo[2,3-b]pyridine, 271-63-6, 1,7-diazaindene, 7h-pyrrolo[2,3-b]pyridine, 7-aza-1-pyrindine, 1,7-dideazapurine
Molecular Formula
C7H6N2
Molecular Weight
118.14  g/mol
InChI Key
MVXVYAKCVDQRLW-UHFFFAOYSA-N
FDA UNII
QX4465NR9T

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1H-pyrrolo[2,3-b]pyridine
2.1.2 InChI
InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)
2.1.3 InChI Key
MVXVYAKCVDQRLW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(NC=C2)N=C1
2.2 Other Identifiers
2.2.1 UNII
QX4465NR9T
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 7-azaindole Dimer

2.3.2 Depositor-Supplied Synonyms

1. 1h-pyrrolo[2,3-b]pyridine

2. 271-63-6

3. 1,7-diazaindene

4. 7h-pyrrolo[2,3-b]pyridine

5. 7-aza-1-pyrindine

6. 1,7-dideazapurine

7. 1h-pyrrolo(2,3-b)pyridine

8. 7h-pyrrolo(2,3-b)pyridine

9. Pyrrolo[2,3-b]pyridine

10. 7-aza-indole

11. Mfcd00005606

12. Pyrrolo(2,3-b)pyridine

13. 89267-19-6

14. Qx4465nr9t

15. 1h-pyrrolo[2,3-b]pyridine, Dimer

16. Nsc-67063

17. Nsc-77951

18. Wln: T56 Bm Inj

19. 25247-73-8

20. Einecs 205-981-0

21. Nsc 67063

22. Unii-qx4465nr9t

23. 1 H-pyrrolo[2,3:b]pyridine

24. 7-azaindol

25. 7-aza Indole

26. Pyrrolo[b]pyridine

27. Gvh

28. 7-azaindole, 98%

29. Pyrrolo[2,3-b]-pyridine

30. Nciopen2_000707

31. Schembl17837

32. 1-h-pyrrolo[2,3-b]pyridine

33. 1h-pyrrolo(2,3-b)-pyridine

34. Chembl389685

35. Dtxsid3075046

36. Bdbm16223

37. Act02468

38. Albb-006259

39. Bcp26852

40. Cs-b0516

41. Nsc67063

42. Nsc77951

43. Str01850

44. 1h-pyrrole(2,3-b)pyridine

45. Sc1771

46. Stk503791

47. Zinc15442276

48. Akos000446848

49. Ac-1215

50. Pb32078

51. Ps-4533

52. Ncgc00188278-01

53. Sy001940

54. Db-016106

55. Am20070247

56. Ft-0604377

57. P1117

58. En300-25796

59. A-9500

60. 271a636

61. Q27287542

62. F0001-0881

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 118.14 g/mol
Molecular Formula C7H6N2
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass118.053098200 g/mol
Monoisotopic Mass118.053098200 g/mol
Topological Polar Surface Area28.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1