CAS 872-85-5

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BUILDING BLOCK

2 Suppliers, 2 End Use APIs, 30 Related Intermediates

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2 End Use APIs
30 Related Intermediates

Chemistry

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Also known as: 872-85-5, Isonicotinaldehyde, Pyridine-4-carbaldehyde, 4-formylpyridine, Isonicotinic aldehyde, P-pyridinealdehyde

Molecular Formula

C₆H₅NO

Molecular Weight

107.11 g/mol

InChI Key

BGUWFUQJCDRPTL-UHFFFAOYSA-N

FDA UNII

P577557492

1 2D Structure

CAS 872-85-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

pyridine-4-carbaldehyde

2.1.2 InChI

InChI=1S/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H

2.1.3 InChI Key

BGUWFUQJCDRPTL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CN=CC=C1C=O

2.2 Other Identifiers

2.2.1 UNII

P577557492

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 872-85-5

2. Isonicotinaldehyde

3. Pyridine-4-carbaldehyde

4. 4-formylpyridine

5. Isonicotinic Aldehyde

6. P-pyridinealdehyde

7. 4-pyridinealdehyde

8. Pyridine-4-carboxaldehyde

9. P-formylpyridine

10. 4-pyridylaldehyde

11. Nsc 8953

12. Gamma-formylpyridine

13. Pyridine-4-aldehyde

14. 4-pyridinecarbaldehyde

15. Nsc-8953

16. P577557492

17. 4-pyridine Carboxaldehyde

18. Einecs 212-832-3

19. Mfcd00006425

20. (4-pyridinecarboxaldehyde)

21. Ai3-33232

22. 4-picolinaldehyde

23. Nsc8953

24. 4-formyl-pyridine

25. Pyridin-4-al

26. Piridine-4-aldehyde

27. Pyridine 4-aldehyde

28. 4-pyridylformaldehyde

29. Pyridine4-carbaldehyde

30. 4-pyrdinecarboxaldehyde

31. 4-pyridincarboxaldehyde

32. 4-pyridinecaboxaldehyde

33. 4-pyridinecarboaldehyde

34. Pyridin-4-carbaldehyde

35. 4-pyridine Carbaldehyde

36. 4-pyridine-formaldehyde

37. Pyridine 4-carbaldehyde

38. Pyridine-4 Carbaldehyde

39. Pyridine-4carboxaldehyde

40. Pyridine4-carboxaldehyde

41. 4-pyridine Carboaldehyde

42. Pyridin-4-carboxaldehyde

43. 4 -pyridinecarboxaldehyde

44. 4-pyridine-carboxaldehyde

45. 4-pyridinecarbox-aldehyde

46. Pyridine 4-carboxaldehyde

47. 4- Pyridinecarboxaldehyde

48. Pyridin-4-ylcarboxaldehyde

49. Pyridin-4-aldehyde

50. Ec 212-832-3

51. Pyridine-4-ylcarboxaldehyde

52. Schembl28473

53. Carbonyl-1,4-dihydropyridine

54. 4-pyridinecarboxaldehyde, 97%

55. Schembl4027783

56. Chembl2251606

57. Dtxsid1061237

58. Zinc157163

59. Act05935

60. Cs-d1135

61. Bbl025920

62. Stl281177

63. Unii-p577557492

64. Akos000119727

65. Ab00754

66. Ac-2103

67. As-30155

68. Db-031936

69. Am20061563

70. Ft-0601121

71. I0143

72. Q-101279

73. Q23636732

74. F1294-0084

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₅NO
Molecular Weight	107.11 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	107.037113783 g/mol
Monoisotopic Mass	107.037113783 g/mol
Topological Polar Surface Area	30 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	76.6
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