CAS 5470-70-2

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6 End Use APIs
33 Related Intermediates

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Also known as: 5470-70-2, Methyl 6-methylpyridine-3-carboxylate, Methyl-6-methylnicotinate, Etoricoxib impurity e, 6-methylnicotinic acid methyl ester, 6-methyl-nicotinic acid methyl ester

Molecular Formula

C₈H₉NO₂

Molecular Weight

151.16 g/mol

InChI Key

VYPPZXZHYDSBSJ-UHFFFAOYSA-N

FDA UNII

YA0K0CM5PK

1 2D Structure

CAS 5470-70-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 6-methylpyridine-3-carboxylate

2.1.2 InChI

InChI=1S/C8H9NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h3-5H,1-2H3

2.1.3 InChI Key

VYPPZXZHYDSBSJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC=C(C=C1)C(=O)OC

2.2 Other Identifiers

2.2.1 UNII

YA0K0CM5PK

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 5470-70-2

2. Methyl 6-methylpyridine-3-carboxylate

3. Methyl-6-methylnicotinate

4. Etoricoxib Impurity E

5. 6-methylnicotinic Acid Methyl Ester

6. 6-methyl-nicotinic Acid Methyl Ester

7. Methyl 6-methyl Nicotinate

8. 3-(methoxycarbonyl)-6-methylpyridine

9. Nsc-27973

10. Methyl 6-methyl-3-pyridinecarboxylate

11. Methyl 6-methylaminonicotinate

12. 3-pyridinecarboxylic Acid, 6-methyl-, Methyl Ester

13. 6-methyl Nicotinic Acid Methyl Ester

14. Ya0k0cm5pk

15. 6-methylpyridine-3-carboxylic Acid Methyl Ester

16. 6-methyl(pyridine-3-carboxylic Acid)methyl Ester

17. 6-methyl-3-pyridinecarboxylic Acid Methyl Ester

18. Mfcd00006340

19. 6-methyl Methyl Smoke

20. Unii-ya0k0cm5pk

21. Nsc27973

22. Methyl=6-methylnicotinate

23. 5-carbomethoxy-2-picoline

24. Methyl-6-methyl Nicotinate

25. Schembl64763

26. Chembl3126027

27. Dtxsid80282781

28. Zinc157000

29. Act02408

30. Albb-026631

31. Bcp26781

32. Cs-m0627

33. 5-methoxycarbonyl-2-methyl-pyridine

34. Methyl 6-methylpyridin-3-carboxylate

35. Methyl 2-methyl-5-pyridinecarboxylate

36. Akos009117898

37. Ac-1358

38. Fs-1777

39. Sb40776

40. Sy002953

41. Db-005451

42. Am20061310

43. Ft-0621241

44. M1893

45. Methyl 6-methylpyridine-3-carboxylate, 97%

46. En300-42459

47. 70m702

48. 6-methyl-pyridine-3-carboxylic Acid Methyl Ester

49. Q-101980

50. Q27294418

51. 2-benzylamino-cyclohexanecarboxylicacidhydrochloride

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₉NO₂
Molecular Weight	151.16 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	151.063328530 g/mol
Monoisotopic Mass	151.063328530 g/mol
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147
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