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Overview of CAS 3680-69-1

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4chloro-7H-pyrrolo[2,3-d]pyrimidine
PharmaCompass
4chloro-7H-pyrrolo[2,3-d]pyrimidine
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
153.569  g/mol
InChI Key
BPTCCCTWWAUJRK-UHFFFAOYSA-N

1 2D Structure

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

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 Synonyms
2.2.1 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. 7h-pyrrolo[2,3-d]pyrimidine, 4-chloro-

8. Nsc 64952

9. Brn 0607871

10. Mls002693495

11. Bptccctwwaujrk-uhfffaoysa-n

12. Mfcd01686865

13. Sbb050204

14. 1h-pyrrolo[2,3-d]pyrimidine, 4-chloro-

15. 6-chloro-7-deazapurine (4-chloro-1h-pyrrolo(2,3-d)pyrimidine)

16. 4-chloro-1h-pyrrol{2,3-d}pyrimidine

17. 4-chloro-7h-pyrrolo(2,3-d)pyrimidine

18. 4-chloro-1h-pyrrol[2,3-d]pyrimidine

19. Nsc64952

20. Pubchem2040

21. Tofacitinib Impurity Q

22. Pubchem15008

23. Ac1ns9kc

24. Ac1q3hxk

25. Ac1q3kvd

26. G00038-watson-int

27. 6-chloro-7-deaza Purine

28. Nciopen2_000244

29. Ksc497m0f

30. Schembl102201

31. Acmc-20a061

32. 6-chloro-7-deazapurine, 97%

33. Chembl2133071

34. Ctk3j7602

35. Dtxsid70190280

36. Molport-000-140-364

37. Molport-003-984-438

38. Am946

39. Bh795

40. Cas Number: 3680-69-1

41. Hms3085b16

42. Qc-52

43. 4-chloro-5,7-diazaindole

44. 4-chloro-pyrrolo[2,3-d]pyrimidine

45. Acn-s003142

46. Act01623

47. Albb-010107

48. Cs-b0456

49. Ebd45489

50. Ks-000002pb

51. Zinc6119142

52. An-414

53. Anw-28490

54. Anw-51143

55. Cl3424

56. Fc0552

57. Mfcd21607070

58. Nsc-64952

59. Stk506211

60. Wt2067

61. 6-chloro-7-deazapurine, 98% 1g

62. 4-chloro-7hpyrrolo[2,3-d]pyrimidine

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

64. Akos005070307

65. Akos015966378

66. 4-chloro-7h-pyrrolo[2,3-d]primidine

67. Ac-2838

68. Cm14190

69. Gs-6804

70. Hp21247

71. Ls40282

72. Mcule-9663273448

73. Pb12763

74. Rp01814

75. Rtc-020709

76. Tra0007731

77. 4-chloro-1h-pyrrolo-[2,3-d]pyrimidine

78. 4-chloro-7h-pyrrolo-(2,3-d)pyrimidine

79. 4-chloro-7h-pyrrolo[2,3-d] Pyrimidine

80. 4-chloro-7h-pyrrolo[2,3-d]-pyrimidine

81. 4-chloro-7h-pyrrolo[2,3-d]pyr-imidine

82. Name: 4-chloropyrrolo[2,3-d]pyrimidine

83. Aj-55874

84. Ak-23767

85. At-19201

86. Bc678039

87. Br-23767

88. Cj-12935

89. En002193

90. Hc210278

91. He033135

92. Kb-38136

93. R887

94. Sc-03903

95. Smr001559448

96. Sy003080

97. 4-chloro-7h-pyrrolo[2,3-d]pyrimidine #

98. Ab0018392

99. Ab0068577

100. Ab0071553

101. Ab1001514

102. Ck-05-007

103. Db-031261

104. Ls-139562

105. St1191220

106. Tc-020709

107. Tl8002718

108. 4ch-006224

109. A6334

110. Ft-0082323

111. Ft-0601986

112. Az0001-0272

113. En300-56508

114. 4-chloro-3h-pyrrolo[2,3-d]pyrimidine

115. A-2658

116. X-1254

117. 3680-69-1 4-chloropyrrolo[2,3-d]pyrimidine

118. 3z-0603

119. 680c691

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

121. Q-200553

122. T6734662

123. 3680-69-1 4-chloro-7h-pyrrolo[2,3-d]pyrimidine

124. 4-chloro-7h-pyrrolo[2,3-d]pyrimidine/6-chloro-7-de

125. I14-33732

126. F5608-0080

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 153.569 g/mol
Molecular Formula C6H4ClN3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass153.009 g/mol
Monoisotopic Mass153.009 g/mol
Topological Polar Surface Area41.6 A^2
Heavy Atom Count10
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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