Close
4
pipeline-prospector-insert-v1
X

Overview

Client Email Product
CAS 102268-15-5
PharmaCompass
CAS 102268-15-5
Also known as: 102268-15-5, 5-ethylquinolinic acid, 5-ethyl-2,3-pyridinedicarboxylic acid, 2,3-pyridinedicarboxylic acid, 5-ethyl-, 5-ethyl-2,3-pyridine dicarboxylic acid, Cl 271,191
Molecular Formula
C9H9NO4
Molecular Weight
195.174  g/mol
InChI Key
MTAVBTGOXNGCJR-UHFFFAOYSA-N

1 2D Structure

CAS 102268-15-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-ethylpyridine-2,3-dicarboxylic acid
2.1.2 InChI
InChI=1S/C9H9NO4/c1-2-5-3-6(8(11)12)7(9(13)14)10-4-5/h3-4H,2H2,1H3,(H,11,12)(H,13,14)
2.1.3 InChI Key
MTAVBTGOXNGCJR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=CN=C(C(=C1)C(=O)O)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 102268-15-5

2. 5-ethylquinolinic Acid

3. 5-ethyl-2,3-pyridinedicarboxylic Acid

4. 2,3-pyridinedicarboxylic Acid, 5-ethyl-

5. 5-ethyl-2,3-pyridine Dicarboxylic Acid

6. Cl 271,191

7. C-80185

8. Sbb065476

9. Ak-40477

10. 5-ethylpyridine-2,3-dicarboxylicacid

11. Pubchem16905

12. Ac1l3dkq

13. Dsstox_cid_9072

14. Dsstox_rid_78667

15. Dsstox_gsid_29072

16. Ksc179a3d

17. Tpc-py108

18. Schembl351540

19. Jsp000275

20. Chembl3185109

21. Dtxsid8029072

22. Ctk0h9031

23. Molport-000-140-684

24. Mtavbtgoxngcjr-uhfffaoysa-n

25. Acmc-209817

26. Act05499

27. Ks-00000yq1

28. Zinc2545270

29. Tox21_300682

30. Anw-14681

31. Fch918557

32. Mfcd00071733

33. Akos006230429

34. Ac-7655

35. Am81292

36. An-8810

37. Mcule-7437903521

38. Rtr-000585

39. Vp10633

40. 2,3-pyridinedicarboxylicacid, 5-ethyl-

41. Ncgc00248138-01

42. Ncgc00254590-01

43. Aj-39283

44. As-14918

45. Kb-43104

46. N168

47. Ax8103886

48. Db-016093

49. Ls-131358

50. Tr-000585

51. Cas-102268-15-5

52. E0887

53. Ft-0620382

54. St24033004

55. St50825376

56. Y-9430

57. C-53446

58. 5-ethyl-2,3-pyridinedicarboxylic Acid, Aldrichcpr

59. I02-1161

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 195.174 g/mol
Molecular Formula C9H9NO4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass195.053 g/mol
Monoisotopic Mass195.053 g/mol
Topological Polar Surface Area87.5 A^2
Heavy Atom Count14
Formal Charge0
Complexity241
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