CAS 1121-60-4

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Also known as: Picolinaldehyde, 1121-60-4, Pyridine-2-carbaldehyde, Pyridine-2-carboxaldehyde, 2-formylpyridine, Picolinal

Molecular Formula

C₆H₅NO

Molecular Weight

107.11 g/mol

InChI Key

CSDSSGBPEUDDEE-UHFFFAOYSA-N

FDA UNII

KH86K8FHZ2

2-Pyridinecarboxaldehyde is a natural product found in Capparis spinosa with data available.

1 2D Structure

CAS 1121-60-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

pyridine-2-carbaldehyde

2.1.2 InChI

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

2.1.3 InChI Key

CSDSSGBPEUDDEE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=NC(=C1)C=O

2.2 Other Identifiers

2.2.1 UNII

KH86K8FHZ2

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Picolinaldehyde

2. 1121-60-4

3. Pyridine-2-carbaldehyde

4. Pyridine-2-carboxaldehyde

5. 2-formylpyridine

6. Picolinal

7. Pyridine-2-aldehyde

8. 2-picolinaldehyde

9. 2-pyridaldehyde

10. O-nicotinaldehyde

11. Pyridinecarboxaldehyde

12. Picolinic Aldehyde

13. 2-picolinealdehyde

14. 2-pyridylaldehyde

15. 2-pyridylcarboxaldehyde

16. 26445-06-7

17. 2-pyridinecarbaldehyde

18. 2-pyridine Carboxaldehyde

19. 2-formyl-pyridine

20. 2-pyridinealdehyde

21. Mfcd00006290

22. Alpha-picolinaldehyde

23. 2-pyridylformaldehyde

24. .alpha.-picolinaldehyde

25. Nsc 8951

26. Kh86k8fhz2

27. Chebi:73012

28. Nsc-8951

29. Formylpyridine

30. Picolinealdehyde

31. Picolin Aldehyde

32. Carbonyl-pyridine

33. Picoline Aldehyde

34. Pyridine Aldehyde

35. 2-formyl Pyridine

36. Pyridinecarbaldehyde

37. Pyridincarboxaldehyde

38. 2-pyridine Aldehyde

39. Einecs 214-333-6

40. 2-pyridylcarbaldehyde

41. Pyridine-carboxaldehyde

42. 2-pyridinecarboaldehyde

43. 2-pyridinecarboxaldeyde

44. Pyridin-2-carbaldehyde

45. Pyridin-2-yl-methanone

46. Pyridine-2 Carbaldehyde

47. Pyridine-2-formaldehyde

48. Pyridine2-carboxaldehyde

49. 2-pyridyl Carboxaldehyde

50. 2-pyridyl-carboxaldehyde

51. (pyridin-2-yl)methanone

52. Ai3-33230

53. 2-pyridine-carboxaldehyde

54. Pyridine 2-carboxaldehyde

55. Unii-kh86k8fhz2

56. Ec 214-333-6

57. Schembl55278

58. Schembl730714

59. 2-pyridinecarboxaldehyde, 99%

60. Chembl274794

61. Pyridin-2-carboxaldehyde

62. Dtxsid1061522

63. 2-formylpyridine, Picolinaldehyde

64. Nsc8951

65. Picolinaldehyde;pyridine-2-aldehyde

66. Bcp21804

67. Bbl027574

68. Stl146657

69. 4,4'-bis(chlorosulfonyl)diphenylether

70. Akos000119317

71. Ab00680

72. Ac-5098

73. Cs-w007336

74. Ps-9301

75. Db-015971

76. Am20050672

77. Ns00005186

78. P0425

79. En300-18999

80. A20908

81. D77679

82. Q-101278

83. Q4596887

84. F2190-0594

85. Z104472152

86. Inchi=1/c6h5no/c8-5-6-3-1-2-4-7-6/h1-5

87. Picolinaldehyde; 2-pyridinecarbaldehyde; Pyridine-2-aldehyde

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	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	30
Heavy Atom Count	8
Formal Charge	0
Complexity	82.6
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

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