CAS 50890-83-0

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2 End Use APIs
2 Related Intermediates

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Also known as: 50890-83-0, 1-methyl-1h-indazole-3-carboxylic acid, 1h-indazole-3-carboxylic acid, 1-methyl-, N-methyl-indazole-3-carboxylic acid, 3-carboxy-1-methylindazole, 1-methyl-indazole-3-carboxylic acid

Molecular Formula

C₉H₈N₂O₂

Molecular Weight

176.17 g/mol

InChI Key

OVVDFORZEGKEJM-UHFFFAOYSA-N

FDA UNII

F9P5J2E2BU

1 2D Structure

CAS 50890-83-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-methylindazole-3-carboxylic acid

2.1.2 InChI

InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(10-11)9(12)13/h2-5H,1H3,(H,12,13)

2.1.3 InChI Key

OVVDFORZEGKEJM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C2=CC=CC=C2C(=N1)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

F9P5J2E2BU

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 50890-83-0

2. 1-methyl-1h-indazole-3-carboxylic Acid

3. 1h-indazole-3-carboxylic Acid, 1-methyl-

4. N-methyl-indazole-3-carboxylic Acid

5. 3-carboxy-1-methylindazole

6. 1-methyl-indazole-3-carboxylic Acid

7. Mfcd00272569

8. 1-methyl-1h-indazole-3-carboxylicacid

9. F9p5j2e2bu

10. 1-methylindazole-3-carboxylic Acid (granisetron Impurity D)

11. N-methylindazole-3-carboxylic Acid

12. 1-methylindozole-3-carboxylic Acid

13. Granisetron Related Compound D [usp-rs]

14. Granisetron Related Compound D

15. 1-methyl-3-indazolecarboxylic Acid

16. Unii-f9p5j2e2bu

17. Aq-358/41297702

18. Schembl496589

19. Zinc58277

20. 1-methyl-indazole-carboxylic-acid

21. Dtxsid10351050

22. 1-methyl-3-indazolylcarboxylic Acid

23. Albb-006391

24. Bcp16662

25. N-methyl-indozole-3-carboxylic Acid

26. 1-methyl-indozole-3-carboxylic Acid

27. N-methyl Indazole-3-carboxylic Acid

28. Stk503888

29. Akos000265203

30. Ac-1977

31. Cs-w007927

32. Fs-2172

33. Pb33889

34. N-methyl-(1h)indazole-3-carboxylic Acid

35. Sy002051

36. 1-methylindazole-3-carboxylic Acid, 97%

37. Db-011636

38. Am20040587

39. Bb 0255029

40. Ft-0639948

41. M2143

42. 90m830

43. A1-01699

44. J-504878

45. J-650195

46. Granisetron Related Compound D, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₉H₈N₂O₂
Molecular Weight	176.17 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	176.058577502 g/mol
Monoisotopic Mass	176.058577502 g/mol
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	220
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