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Also known as: 3222-49-9, 5-methylpyridine-3-carboxylic acid, 5-methyl-nicotinic acid, 5-methyl nicotinic acid, Mfcd00829036, 3-pyridinecarboxylic acid, 5-methyl-
Molecular Formula
C7H7NO2
Molecular Weight
137.14  g/mol
InChI Key
DJDHHXDFKSLEQY-UHFFFAOYSA-N

CAS 3222-49-9
1 2D Structure

CAS 3222-49-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-methylpyridine-3-carboxylic acid
2.1.2 InChI
InChI=1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)
2.1.3 InChI Key
DJDHHXDFKSLEQY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=CN=C1)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 3222-49-9

2. 5-methylpyridine-3-carboxylic Acid

3. 5-methyl-nicotinic Acid

4. 5-methyl Nicotinic Acid

5. Mfcd00829036

6. 3-pyridinecarboxylic Acid, 5-methyl-

7. Chembl247132

8. 5-methyl-3-pyridinecarboxylic Acid

9. 5-methylnicotinicacid

10. 5-methyinicotinic Acid

11. 5-methyl Nicotinic Aicd

12. Ec 608-720-2

13. Nicotinic Acid, 5-methyl-

14. 5-methylnicotic Acid

15. Nciopen2_001043

16. Schembl185789

17. Gtpl1592

18. Dtxsid60292444

19. Zinc157726

20. 5-methypyridine-3-carboxylic Acid;

21. Act02404

22. Nsc82649

23. Ac-616

24. Bdbm50216534

25. Nsc 82649

26. Nsc-82649

27. Akos005256160

28. Cs-w002700

29. Pb12710

30. Ps-4181

31. Sy004561

32. 3-methyl-5-pyridinecarboxylic Acid

33. 5-methylpyridine-3-carboxylic Acid, 97%

34. Db-007085

35. Am20070133

36. Ft-0601124

37. En300-82869

38. A23288

39. 222m499

40. 5-bromospiro[cyclohexane-1,3-indol]-2(1h)-one

41. W-202324

42. Q27073992

43. Z825019000

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 137.14 g/mol
Molecular Formula C7H7NO2
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area50.2
Heavy Atom Count10
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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