CAS 102268-15-5

Chemistry, 1 End Use API, 3 Related Intermediates

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Also known as: 102268-15-5, 5-ethylquinolinic acid, 2,3-pyridinedicarboxylic acid, 5-ethyl-, 5-ethyl-2,3-pyridinedicarboxylic acid, Uc57wu0x05, Cl 271,191

Molecular Formula

C₉H₉NO₄

Molecular Weight

195.17 g/mol

InChI Key

MTAVBTGOXNGCJR-UHFFFAOYSA-N

FDA UNII

UC57WU0X05

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=CC(=C(N=C1)C(=O)O)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

UC57WU0X05

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 102268-15-5

2. 5-ethylquinolinic Acid

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

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

5. Uc57wu0x05

6. Cl 271,191

7. C-80185

8. Imazethapyr Impurity 9

9. Dsstox_cid_9072

10. Dsstox_rid_78667

11. Unii-uc57wu0x05

12. Dsstox_gsid_29072

13. Schembl351540

14. Chembl3185109

15. Dtxsid8029072

16. Act05499

17. Bcp12471

18. Zinc2545270

19. Tox21_300682

20. Mfcd00071733

21. Akos006230429

22. Ac-7655

23. Am81292

24. Sb52284

25. Ncgc00248138-01

26. Ncgc00254590-01

27. As-14918

28. Db-016093

29. A1801

30. Cas-102268-15-5

31. Cs-0127995

32. E0887

33. Ft-0620382

34. Ethylpyridine-2,3-dicarboxylic Acid, 5-

35. 5-ethyl-2,3-pyridinedicarboxylic Acid, Aldrichcpr

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₉NO₄
Molecular Weight	195.17 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	195.05315777 g/mol
Monoisotopic Mass	195.05315777 g/mol
Topological Polar Surface Area	87.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	241
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

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CAS Number

89-00-9

Intermediate Name

Pyridine-2,3-dicarboxylic acid

About the Company

We specialize in the supply of API and API related intermediates and services. A significant part of our ...

We specialize in the supply of API and API related intermediates and services. A significant part of our business comes from the process/production development tailored to our customers' requirement.We see our core-value in our top-of-the-rank R&D capabilities, strict quality system, fast communication with accuracy and 15years of continued dedication to pharmaceutical and chemical industries.We take pride in the long term partnership with our reputed customers, and feel truly fortunate to work with mutual and respect. We constantly strive to keep up with their ever increasing expectation, to ensure we are worthy of their trust and reliance.

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