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CAS 100-26-5 manufacturers and suppliers on PharmaCompass

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  • Chemistry
4K1KGR926X
Also known as: 100-26-5, Pyridine-2,5-dicarboxylic acid, Isocinchomeronic acid, Pyridinedicarboxylic acid-(2,5), Chembl88972, 4k1kgr926x
Molecular Formula
C7H5NO4
Molecular Weight
167.12  g/mol
InChI Key
LVPMIMZXDYBCDF-UHFFFAOYSA-N
FDA UNII
4K1KGR926X

1 2D Structure

4K1KGR926X

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
pyridine-2,5-dicarboxylic acid
2.1.2 InChI
InChI=1S/C7H5NO4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3H,(H,9,10)(H,11,12)
2.1.3 InChI Key
LVPMIMZXDYBCDF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=NC=C1C(=O)O)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
4K1KGR926X
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2,5-pdc

2. 2,5-pyridinedicarboxylate

3. Pyridine-2,5-dicarboxylic Acid

4. Pyridine-2,5-dicarboxylic Acid, Disodium Salt

5. Pyridine-2,5-dicarboxylic Acid, Sodium Salt

2.3.2 Depositor-Supplied Synonyms

1. 100-26-5

2. Pyridine-2,5-dicarboxylic Acid

3. Isocinchomeronic Acid

4. Pyridinedicarboxylic Acid-(2,5)

5. Chembl88972

6. 4k1kgr926x

7. Chebi:46865

8. Nsc-177

9. Mfcd00006297

10. Pyridine 2,5-dicarboxylate

11. Unii-4k1kgr926x

12. Nsc 177

13. Einecs 202-834-2

14. 2,5-dicarboxy-pyridine

15. Ai3-19238

16. 6-carboxy-nicotinic Acid

17. Pyridine Carboxylate, 6b

18. Schembl70231

19. Nsc177

20. Zinc5284

21. Pyridine 2,5-dicarboxylic Acid

22. Dtxsid3059210

23. Bdbm26114

24. Pyridine-2,5- Dicarboxylic Acid

25. Isocinchomeronic Acid [mi]

26. Act07453

27. 2,5-pyridinedicarboxylic Acid-[d3]

28. Bbl011510

29. Stl146625

30. 2,5-pyridinedicarboxylic Acid, 98%

31. Pyridine-2,5-dicarboxylicacid

32. Akos000119637

33. Cs-w013239

34. Fg-0457

35. Pyridinedicarboxylic Acid [inci]

36. Ncgc00336418-01

37. Sy007555

38. 2,5-pyridinedicarboxylic Acid-[13c7,d3]

39. Db-002412

40. Am20050593

41. Ft-0610502

42. Ft-0674189

43. Ft-0674190

44. Ft-0674191

45. P0552

46. Ab00376873-03

47. W-204355

48. Q27120714

49. F0001-0013

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 167.12 g/mol
Molecular Formula C7H5NO4
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass167.02185764 g/mol
Monoisotopic Mass167.02185764 g/mol
Topological Polar Surface Area87.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity204
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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