CAS 1072-98-6

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Also known as: 1072-98-6, 5-chloropyridin-2-amine, 5-chloro-2-pyridinamine, 2-pyridinamine, 5-chloro-, 5-chloro-2-aminopyridine, 2-amino5-chloropyridine

Molecular Formula

C₅H₅ClN₂

Molecular Weight

128.56 g/mol

InChI Key

MAXBVGJEFDMHNV-UHFFFAOYSA-N

1 2D Structure

CAS 1072-98-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-chloropyridin-2-amine

2.1.2 InChI

InChI=1S/C5H5ClN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)

2.1.3 InChI Key

MAXBVGJEFDMHNV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=NC=C1Cl)N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 5-chloro-2-pyridinamine

2.2.2 Depositor-Supplied Synonyms

1. 1072-98-6

2. 5-chloropyridin-2-amine

3. 5-chloro-2-pyridinamine

4. 2-pyridinamine, 5-chloro-

5. 5-chloro-2-aminopyridine

6. 2-amino5-chloropyridine

7. Mfcd00006324

8. Pyridine, 2-amino-5-chloro-

9. 5-chloropyridin-2-ylamine

10. 5-chloro-2-pyridylamine

11. 2-amino-5-chloro Pyridine

12. 5-chloro-pyridin-2-ylamine

13. Nsc26283

14. Einecs 214-020-4

15. 2-amino-5chloropyridine

16. 2-amino-5-chloropyrdine

17. 2-amino-5-chloropyridin

18. 2-amino-5-cloropyridine

19. Ai3-52448

20. 5-chloropyridine-2-amine

21. 2-amino-5-chloro-pyridine

22. Schembl77304

23. 5-chloropyridin-2(1h)-imine

24. Dtxsid0073247

25. (5-chloro-pyridin-2-yl)-amine

26. 2-amino-5-chloropyridine, 98%

27. Act01437

28. Bcp23345

29. Str00702

30. Ab2782

31. Nsc 26283

32. Nsc-26283

33. Stk398098

34. Stl453491

35. Zinc19143849

36. Akos000119653

37. Akos025397221

38. Ab00712

39. Ac-2429

40. Ccg-325545

41. Cs-w018533

42. Ps-3640

43. Bp-12769

44. Sy001089

45. Db-014014

46. A0837

47. Am20050652

48. Ft-0611162

49. 5-chloro-2-pyridinamine;5-chloropyridin-2-amine

50. Ag-617/02036012

51. 2-amino-5-chloropyridine, Purum, >=98.0% (nt)

52. Q-103358

53. F0001-0149

54. Z1245635869

55. 2-amino-5-chloropyridine, British Pharmacopoeia (bp) Reference Standard

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₅ClN₂
Molecular Weight	128.56 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	128.0141259 g/mol
Monoisotopic Mass	128.0141259 g/mol
Topological Polar Surface Area	38.9 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	76.8
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