605-38-9

Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

Virtual Booth

Contact Supplier

AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 17 Related Intermediates

1 Suppliers
1 End Use APIs
17 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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

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 Formula	C₉H₉NO₄
Molecular Weight	195.17 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	65.5
Heavy Atom Count	14
Formal Charge	0
Complexity	229
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1