CAS 896139-85-8

1 2D Structure

CAS 896139-85-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1H-imidazo[1,2-a]pyridin-7-one

2.1.2 InChI

InChI=1S/C7H6N2O/c10-6-1-3-9-4-2-8-7(9)5-6/h1-5,8H

2.1.3 InChI Key

DMFQJHYMRLHGLE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CN2C=CNC2=CC1=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 896139-85-8

2. 1h-imidazo[1,2-a]pyridin-7-one

3. 7-hydroxyimidazo[1,2-a]pyridine

4. Schembl601353

5. Schembl21591074

6. Dtxsid20650763

7. Bcp13666

8. 7-hydroxyl-imidazo[1,2-a]pyridine

9. Imidazo[1,2-a]pyridin-7(1h)-one

10. Mfcd13176749

11. Zinc18559358

12. Akos016006181

13. Ds-4210

14. Db-108985

15. Ft-0670306

16. F17865

17. A861121

2.3 Create Date

2009-05-28

3 Chemical and Physical Properties

Molecular Formula	C₇H₆N₂O
Molecular Weight	134.14 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	134.048012819 g/mol
Monoisotopic Mass	134.048012819 g/mol
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	263
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

CAS 896139-85-8 manufacturers and suppliers on PharmaCompass