Close
4
pipeline-prospector-insert-v1
X

Overview

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

1 2D Structure

CAS 100-26-5

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 Depositor-Supplied Synonyms

1. 2,5-pyridinedicarboxylic Acid

2. 100-26-5

3. Pyridine-2,5-dicarboxylic Acid

4. 2,5-pyridinedicarboxylicacid

5. Pyridinedicarboxylic Acid-(2,5)

6. Chembl88972

7. Chebi:46865

8. Lvpmimzxdybcdf-uhfffaoysa-n

9. Pyridine 2,5-dicarboxylate

10. Unii-4k1kgr926x

11. Nsc 177

12. Einecs 202-834-2

13. Pubchem12991

14. 2,5-dicarboxy-pyridine

15. Ai3-19238

16. 6-carboxy-nicotinic Acid

17. Ac1l1ovv

18. Ac1q5ufb

19. Pyridine Carboxylate, 6b

20. Acmc-2097nz

21. Ac1q73bo

22. Schembl70231

23. Ksc174q6d

24. 4k1kgr926x

25. Nsc177

26. Zinc5284

27. Pyridine 2,5-dicarboxylic Acid

28. Dtxsid3059210

29. Bdbm26114

30. Ctk0h4861

31. Ks-00000ikw

32. Pyridine-2,5- Dicarboxylic Acid

33. Nsc-177

34. Molport-000-139-957

35. Bb_sc-7174

36. Act07453

37. Anw-14205

38. Bbl011510

39. Mfcd00006297

40. Sbb003886

41. Stl146625

42. 2,5-pyridinedicarboxylic Acid, 98%

43. Akos000119637

44. Acn-051112

45. Fg-0457

46. Mcule-4931082325

47. Mp-0263

48. Rp02504

49. Rtr-032844

50. Tra0033603

51. Aj-08243

52. Ak-41175

53. Ak516702

54. Br-41175

55. Kb-67585

56. L105

57. Sc-22647

58. Db-002412

59. St2409166

60. Tl8000039

61. Tr-032844

62. Am20050593

63. Bg00601319

64. Bg01502160

65. Ft-0610502

66. P0552

67. St50307920

68. A16160

69. Ab00376873-03

70. S02-0137

71. W-204355

72. F0001-0013

73. Inchi=1/c7h5no4/c9-6(10)4-1-2-5(7(11)12)8-3-4/h1-3h,(h,9,10)(h,11,12

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 167.12 g/mol
Molecular Formula C7H5NO4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass167.022 g/mol
Monoisotopic Mass167.022 g/mol
Topological Polar Surface Area87.5 A^2
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
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us