CAS 3680-69-1

Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Virtual Booth

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

20 Suppliers, 19 End Use APIs, 79 Related Intermediates

20 Suppliers
19 End Use APIs
79 Related Intermediates

MARKET PLACE

1 Intermediates

1 Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 3680-69-1, 4-chloropyrrolo[2,3-d]pyrimidine, 6-chloro-7-deazapurine, 4-chloro-1h-pyrrolo[2,3-d]pyrimidine, 4-chloropyrrolo(2,3-d)pyrimidine, 7h-pyrrolo(2,3-d)pyrimidine, 4-chloro-

Molecular Formula

C₆H₄ClN₃

Molecular Weight

153.57 g/mol

InChI Key

BPTCCCTWWAUJRK-UHFFFAOYSA-N

FDA UNII

9VV5MK5RX3

1 2D Structure

CAS 3680-69-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-7H-pyrrolo[2,3-d]pyrimidine

2.1.2 InChI

InChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)

2.1.3 InChI Key

BPTCCCTWWAUJRK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CNC2=C1C(=NC=N2)Cl

2.2 Other Identifiers

2.2.1 UNII

9VV5MK5RX3

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3680-69-1

2. 4-chloropyrrolo[2,3-d]pyrimidine

3. 6-chloro-7-deazapurine

4. 4-chloro-1h-pyrrolo[2,3-d]pyrimidine

5. 4-chloropyrrolo(2,3-d)pyrimidine

6. 7h-pyrrolo(2,3-d)pyrimidine, 4-chloro-

7. Tofacitinib Impurity 06

8. Mfcd01686865

9. 9vv5mk5rx3

10. 1h-pyrrolo[2,3-d]pyrimidine, 4-chloro-

11. Mls002693495

12. Nsc-64952

13. 4-chloro-1h-pyrrolo(2,3-d)pyrimidine

14. 4-chloro-7h-pyrrolo(2,3-d)pyrimidine

15. 7h-pyrrolo[2,3-d]pyrimidine, 4-chloro-

16. Nsc 64952

17. Brn 0607871

18. Nsc64952

19. 6-chloro-7-deazapurin

20. 6-chloro-7-deaza Purine

21. Unii-9vv5mk5rx3

22. 4-chloro-3h-pyrrolo[2,3-d]pyrimidine

23. Nciopen2_000244

24. Schembl102201

25. 6-chloro-7-deazapurine, 97%

26. Chembl2133071

27. Dtxsid70190280

28. Am946

29. Hms3085b16

30. 4-chloro-pyrrolo[2,3-d]pyrimidine

31. Act01623

32. Albb-010107

33. Bcp01366

34. Cs-b0456

35. Zinc6119142

36. Bbl104430

37. Cl3424

38. Stk506211

39. 4-chloro-7hpyrrolo[2,3-d]pyrimidine

40. 4chloro-7h-pyrrolo[2,3-d]pyrimidine

41. Akos005070307

42. Akos015966378

43. 4-chloro-7h-pyrrolo[2,3-d]primidine

44. Ac-2838

45. Gs-6804

46. Pb12763

47. 4-chloro-1h-pyrrolo-[2,3-d]pyrimidine

48. 4-chloro-7h-pyrrolo[2,3-d] Pyrimidine

49. 4-chloro-7h-pyrrolo[2,3-d]-pyrimidine

50. 4-chloro-7h-pyrrolo[2,3-d]pyr-imidine

51. As-31013

52. Smr001559448

53. Sy003080

54. 4-chloro-7h-pyrrolo[2,3-d]pyrimidine #

55. Db-031261

56. A6334

57. Ft-0601986

58. En300-56508

59. 3z-0603

60. 680c691

61. Q-200553

62. F5608-0080

63. 4-chloro-7h-pyrrolo[2,3-d]pyrimidine;6-chloro-7-deazapurine

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₄ClN₃
Molecular Weight	153.57 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	153.0093748 g/mol
Monoisotopic Mass	153.0093748 g/mol
Topological Polar Surface Area	41.6 Å²
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