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CAS 133627-46-0
PharmaCompass
CAS 133627-46-0
Also known as: 133627-46-0, 2-chloro-n-(2-chloro-4-methylpyridin-3-yl)nicotinamide, 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl)-3-pyridinecarboxamide, 2-chloro-n-(2-chloro-4-methyl-pyridin-3-yl)nicotinamide, 2-chloro-n-(2-chloro-4-methylpyridin-3-yl)pyridine-3-carboxamide, Ak-28768
Molecular Formula
C12H9Cl2N3O
Molecular Weight
282.124  g/mol
InChI Key
UVCHGYJPZGYMSW-UHFFFAOYSA-N

1 2D Structure

CAS 133627-46-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-N-(2-chloro-4-methylpyridin-3-yl)pyridine-3-carboxamide
2.1.2 InChI
InChI=1S/C12H9Cl2N3O/c1-7-4-6-16-11(14)9(7)17-12(18)8-3-2-5-15-10(8)13/h2-6H,1H3,(H,17,18)
2.1.3 InChI Key
UVCHGYJPZGYMSW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=NC=C1)Cl)NC(=O)C2=C(N=CC=C2)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 133627-46-0

2. 2-chloro-n-(2-chloro-4-methylpyridin-3-yl)nicotinamide

3. 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl)-3-pyridinecarboxamide

4. 2-chloro-n-(2-chloro-4-methyl-pyridin-3-yl)nicotinamide

5. 2-chloro-n-(2-chloro-4-methylpyridin-3-yl)pyridine-3-carboxamide

6. Ak-28768

7. 2-chloro-n-(2-chloro-4-methyl-3-pyridyl)-3-pyridine Carboxamide

8. C12h9cl2n3o

9. 3-pyridinecarboxamide, 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl)-

10. 2-chloro-n-(2-chloro-4- Methyl-3-pyridyl)-3-pyridine Carboxamide

11. 2-chloro-n-(2-chloro-4-

12. Chemacx(1)

13. Schembl1923392

14. Ctk6h4209

15. Dtxsid80439718

16. Molport-003-845-772

17. Uvchgyjpzgymsw-uhfffaoysa-n

18. Anw-54046

19. Mfcd09031256

20. Zinc21991766

21. Akos014828541

22. Acn-001507

23. Cc-1086

24. Imed1263722584

25. Rp17621

26. Ac-18950

27. Aj-79729

28. An-32146

29. As-17449

30. At-21455

31. Ax8018081

32. Db-000413

33. Rt-007679

34. Ft-0645672

35. St24027952

36. St51052460

37. V0171

38. Methyl-3-pyridyl)-3-pyridine Carboxamide

39. 627c460

40. I02-1586

41. 2-chloro-n-(2-chloro-4-methyl-3-pyridyl)nicotinamide

42. N-(2-chloro-4-methyl-3-pyridyl)-2-chloronicotinamide

43. 2-chloro-n-(2-chloro-4-methyl-pyridin-3-yl) Nicotinamide

44. 2-chloro-n-(2-chloro-4-methyl-pyridin-3-yl)-nicotinamide

45. 2-chloro-n-(2-chloro-4-methyl-3-pyridinly)-3-pyridinecarboxamide

46. 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl)-3-pyridine Carboxamide

47. 2-chloro-n-(2-chloro-4-methyl-3-pyridyl)-3-pyridine Carboxamine

48. 2-chloro-n-(2-chloro-4-methyl-3-pyridyl)pyridine-3-carboxamide

49. 2-chloro-n-(2-chloro-4-methyl-3-pyridinyl-3-pyridine) Carboxamide(carboxamide)

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 282.124 g/mol
Molecular Formula C12H9Cl2N3O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass281.012 g/mol
Monoisotopic Mass281.012 g/mol
Topological Polar Surface Area54.9 A^2
Heavy Atom Count18
Formal Charge0
Complexity303
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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