CAS 27048-04-0

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Also known as: 27048-04-0, 6-chloro-3-nitropyridin-2-amine, 2-amino-3-nitro-6-chloropyridine, 136901-10-5, 6-amino-2-chloro-5-nitropyridine, 6-chloro-3-nitropyridin-2-ylamine

Molecular Formula

C₅H₄ClN₃O₂

Molecular Weight

173.56 g/mol

InChI Key

WERABQRUGJIMKQ-UHFFFAOYSA-N

1 2D Structure

CAS 27048-04-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-chloro-3-nitropyridin-2-amine

2.1.2 InChI

InChI=1S/C5H4ClN3O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H,(H2,7,8)

2.1.3 InChI Key

WERABQRUGJIMKQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=NC(=C1[N+](=O)[O-])N)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 27048-04-0

2. 6-chloro-3-nitropyridin-2-amine

3. 2-amino-3-nitro-6-chloropyridine

4. 136901-10-5

5. 6-amino-2-chloro-5-nitropyridine

6. 6-chloro-3-nitropyridin-2-ylamine

7. 6-chloro-3-nitro-2-pyridylamine

8. 2-pyridinamine, 6-chloro-3-nitro-

9. 6-chloro-3-nitro-pyridin-2-amine

10. 6-chloro-3-nitro-pyridin-2-ylamine

11. 6-chloro-3-nitro-2-pyridinamine

12. Pyridine, 2,6-dichloro-3-nitro-, Radical Ion(1-) (9ci)

13. Einecs 248-188-5

14. Schembl110092

15. Dtxsid40181524

16. 2-chloro-5-nitro-6-aminopyridine

17. 6-chloro-3-nitro-2-aminopyridine

18. 6-chloro-3-nitro-2-pyridineamine

19. 6-chloro-3-nitropyridine-2-amine

20. 2-amino-3-nitro-6-chloro-pyridine

21. 2-amino-6-chloro-3-nitro-pyridine

22. 2-chloro-5-nitro -6-aminopyridine

23. 2-chloro-5-nitro-6-amino-pyridine

24. 6-chloro-3-nitro-2-pyridine Amine

25. Act01421

26. Bcp06912

27. Cs-d1504

28. 6-chloro-3-nitropyridin-2-yl-amine

29. Bbl009970

30. Mfcd00044350

31. Stk801370

32. Zinc18996093

33. Akos001393917

34. 6-chloro-3-nitro-pyridine-2-yl-amine

35. Ac-5423

36. Pb17080

37. Ps-5502

38. Ncgc00334266-01

39. Bp-13152

40. Db-005962

41. A5286

42. Am20051016

43. Ft-0600902

44. Ft-0657449

45. En300-25565

46. Ab01327234-02

47. Ab01327234-03

48. 048a040

49. A807159

50. W-107133

51. W-201152

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₅H₄ClN₃O₂
Molecular Weight	173.56 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	172.9992041 g/mol
Monoisotopic Mass	172.9992041 g/mol
Topological Polar Surface Area	84.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	160
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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