CAS 31570-97-5

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Also known as: 31570-97-5, 5-hydroxy-2(1h)-quinolinone, 5-hydroxy-1h-quinolin-2-one, Quinoline-2,5-diol, 5-hydroxy-2-quinolone, Mfcd02181132

Molecular Formula

C₉H₇NO₂

Molecular Weight

161.16 g/mol

InChI Key

XOXGLLQTNQBDKL-UHFFFAOYSA-N

1 2D Structure

CAS 31570-97-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-hydroxy-1H-quinolin-2-one

2.1.2 InChI

InChI=1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-5,11H,(H,10,12)

2.1.3 InChI Key

XOXGLLQTNQBDKL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C=CC(=O)N2)C(=C1)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 31570-97-5

2. 5-hydroxy-2(1h)-quinolinone

3. 5-hydroxy-1h-quinolin-2-one

4. Quinoline-2,5-diol

5. 5-hydroxy-2-quinolone

6. Mfcd02181132

7. 5-hydroxyquinolone

8. 2(1h)-quinolinone, 5-hydroxy-

9. 5-hydroxycarbostyril

10. Nsc134652

11. 2,5-dihydroxyquinoline

12. Brexpiprazole Impurity 9

13. 5-oxidanyl-1h-quinolin-2-one

14. Schembl3874061

15. Chebi:48995

16. Dtxsid40419213

17. Bcp24371

18. Zinc16952034

19. Akos005072168

20. Cs-w004487

21. Da-0923

22. Mb02360

23. Nsc-134652

24. Am807161

25. Da-06973

26. Sy110039

27. Ft-0670096

28. 5-hydroxy-1,2-dihydroquinolin-2-one

29. 570h975

30. A820913

31. J-517622

32. Q27121429

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₇NO₂
Molecular Weight	161.16 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	161.047678466 g/mol
Monoisotopic Mass	161.047678466 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	225
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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