CAS 16013-85-7

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Also known as: 16013-85-7, Pyridine, 2,6-dichloro-3-nitro-, 2,6-dichloro-3-nitro-pyridine, 3-nitro-2,6-dichloropyridine, Mfcd00006234, Kh7f529l8w

Molecular Formula

C₅H₂Cl₂N₂O₂

Molecular Weight

192.98 g/mol

InChI Key

SHCWQWRTKPNTEM-UHFFFAOYSA-N

FDA UNII

KH7F529L8W

1 2D Structure

CAS 16013-85-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,6-dichloro-3-nitropyridine

2.1.2 InChI

InChI=1S/C5H2Cl2N2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H

2.1.3 InChI Key

SHCWQWRTKPNTEM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

KH7F529L8W

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 16013-85-7

2. Pyridine, 2,6-dichloro-3-nitro-

3. 2,6-dichloro-3-nitro-pyridine

4. 3-nitro-2,6-dichloropyridine

5. Mfcd00006234

6. Kh7f529l8w

7. 2,6-dichloro-3-nitro Pyridine

8. Einecs 240-151-1

9. Cholest-4-ene, 3-chloro-, (3

10. A)-

11. 2,6-dichloronitropyridine

12. Dichloronitropyridine

13. Unii-kh7f529l8w

14. Schembl56616

15. 2,6-dichioro 3-nitropyridine

16. 2,6-dichloro 3-nitropyridine

17. 2,6-dichloro-5-nitropyridine

18. Dtxsid10166803

19. Zinc967353

20. Act01414

21. 2,6-dichloro-3-nitropyridine Tech.

22. Stk801264

23. 2,6-bis(chloranyl)-3-nitro-pyridine

24. Akos005255252

25. Ac-2768

26. Cs-w001992

27. Pb28956

28. Ps-3147

29. Cholest-4-ene,3-chloro-,(3a)-(9ci)

30. Bp-10097

31. Sy002863

32. Db-005147

33. Am20070294

34. D2761

35. Ft-0610569

36. Ft-0651285

37. 2,6-dichloro-3-nitropyridine 13901-10-5

38. En300-38973

39. 13d857

40. A807471

41. Ac-907/30002032

42. W-107981

43. 2,6-dichloro-3-nitropyridine, Technical Grade, 92%

44. F0001-0573

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₅H₂Cl₂N₂O₂
Molecular Weight	192.98 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	191.9493327 g/mol
Monoisotopic Mass	191.9493327 g/mol
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161
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