CAS 17745-04-9

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Also known as: 17745-04-9, 2-(imidazo[1,2-a]pyridin-3-yl)acetic acid, Imidazo[1,2-a]pyridin-3-yl-acetic acid, Imidazo[1,2-a]pyridine-3-acetic acid, 2-imidazo[1,2-a]pyridin-3-ylacetic acid, Imidazo(1,2-a)pyridine-3-acetic acid

Molecular Formula

C₉H₈N₂O₂

Molecular Weight

176.17 g/mol

InChI Key

ZVBVKRNOISRONE-UHFFFAOYSA-N

1 2D Structure

CAS 17745-04-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-imidazo[1,2-a]pyridin-3-ylacetic acid

2.1.2 InChI

InChI=1S/C9H8N2O2/c12-9(13)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6H,5H2,(H,12,13)

2.1.3 InChI Key

ZVBVKRNOISRONE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=NC=C(N2C=C1)CC(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 17745-04-9

2. 2-(imidazo[1,2-a]pyridin-3-yl)acetic Acid

3. Imidazo[1,2-a]pyridin-3-yl-acetic Acid

4. Imidazo[1,2-a]pyridine-3-acetic Acid

5. 2-imidazo[1,2-a]pyridin-3-ylacetic Acid

6. Imidazo(1,2-a)pyridine-3-acetic Acid

7. Mfcd01720477

8. Imidazo[1,2-a]pyridine-3-aceticacid

9. 2-{imidazo[1,2-a]pyridin-3-yl}acetic Acid

10. Imidazo(1,2-a)pyridine-3-aceticacid

11. Brn 0779907

12. (3-imidazo(1,2-a)pyridine)acetic Acid

13. Schembl909196

14. Dtxsid80170311

15. Bcp10269

16. Zinc87612805

17. Akos005264354

18. Fs-5271

19. Sb34316

20. Ac-25770

21. Imidazo[1,2-a]pyridin-3-yl Acetic Acid

22. Sy128989

23. Db-065188

24. Bb 0259902

25. Cs-0037764

26. Ft-0678433

27. F30060

28. A855339

29. Q27461384

30. Idl

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₈N₂O₂
Molecular Weight	176.17 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	176.058577502 g/mol
Monoisotopic Mass	176.058577502 g/mol
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	208
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