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Also known as: 605-38-9, Dimethyl pyridine-2,3-dicarboxylate, Dimethyl quinolinate, Dimethyl 2,3-pyridinedicarboxylate, 2,3-bis(methoxycarbonyl)pyridine, 2,3-pyridinedicarboxylic acid, dimethyl ester
Molecular Formula
C9H9NO4
Molecular Weight
195.17  g/mol
InChI Key
YLGIBCYHQZTFQL-UHFFFAOYSA-N
FDA UNII
72P05L7R5R

605-38-9
1 2D Structure

605-38-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
dimethyl pyridine-2,3-dicarboxylate
2.1.2 InChI
InChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-10-7(6)9(12)14-2/h3-5H,1-2H3
2.1.3 InChI Key
YLGIBCYHQZTFQL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)C1=C(N=CC=C1)C(=O)OC
2.2 Other Identifiers
2.2.1 UNII
72P05L7R5R
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2,3-dimethyl Methylquinolinate

2. Methylquinolinic Acid, 2,3-dimethyl Ester

3. Mqdme

2.3.2 Depositor-Supplied Synonyms

1. 605-38-9

2. Dimethyl Pyridine-2,3-dicarboxylate

3. Dimethyl Quinolinate

4. Dimethyl 2,3-pyridinedicarboxylate

5. 2,3-bis(methoxycarbonyl)pyridine

6. 2,3-pyridinedicarboxylic Acid, Dimethyl Ester

7. 2,3-dimethyl Pyridine-2,3-dicarboxylate

8. Quinolinic Acid Dimethyl Ester

9. Methylquinolinic Acid, 2,3-dimethyl Ester

10. Nsc 17026

11. Pyridine-2,3-dicarboxylic Acid Dimethyl Ester

12. 72p05l7r5r

13. Mfcd00186549

14. Nsc-17026

15. Mqdme

16. 2,3-dimethyl Methylquinolinate

17. Ai3-02333

18. Dimethyl Pyridinedicarboxylate

19. Schembl69990

20. 2,3-dimethoxycarbonylpyridine

21. 2,3-pyridinedicarboxylic Acid, 2,3-dimethyl Ester

22. Unii-72p05l7r5r

23. Ylgibcyhqztfql-uhfffaoysa-

24. Dtxsid60209234

25. Dimethylpyridine-2,3-dicarboxylate

26. Albb-031864

27. Dimethyl Pyridine-2.3-dicarboxylate

28. Nsc17026

29. Pyridine, 2,3-di(methoxycarbonyl)-

30. Akos003652191

31. Cs-w008590

32. Ac-25600

33. Bp-21467

34. Ds-14127

35. Sy014299

36. Db-013415

37. Am20061690

38. Ns00034379

39. P1303

40. En300-100123

41. A832768

42. J-507045

43. F2167-4112

44. Inchi=1/c9h9no4/c1-13-8(11)6-4-3-5-10-7(6)9(12)14-2/h3-5h,1-2h3

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 195.17 g/mol
Molecular Formula C9H9NO4
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area65.5
Heavy Atom Count14
Formal Charge0
Complexity229
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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