CAS 6635-31-0

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Also known as: Refchem:543413, 625-303-0, 6-hydroxy-5-nitronicotinic acid, 6635-31-0, 5-nitro-6-oxo-1h-pyridine-3-carboxylic acid, Mfcd02180840

Molecular Formula

C₆H₄N₂O₅

Molecular Weight

184.11 g/mol

InChI Key

VJMXJGVEVASJOD-UHFFFAOYSA-N

1 2D Structure

CAS 6635-31-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-nitro-6-oxo-1H-pyridine-3-carboxylic acid

2.1.2 InChI

InChI=1S/C6H4N2O5/c9-5-4(8(12)13)1-3(2-7-5)6(10)11/h1-2H,(H,7,9)(H,10,11)

2.1.3 InChI Key

VJMXJGVEVASJOD-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Refchem:543413

2. 625-303-0

3. 6-hydroxy-5-nitronicotinic Acid

4. 6635-31-0

5. 5-nitro-6-oxo-1h-pyridine-3-carboxylic Acid

6. Mfcd02180840

7. 5-nitro-6-oxo-1,6-dihydropyridine-3-carboxylic Acid

8. 5-nitro-6-oxo-1,6-dihydro-pyridine-3-carboxylic Acid

9. F2147-0229

10. 6-hydroxy-5-nitronicotinicacid

11. 6-hydroxy-5-nitro-pyridine-3-carboxylic Acid

12. 6-hydroxy-5-nitro-nicotinic Acid

13. Nsc52204

14. 3-pyridinecarboxylic Acid, 1,6-dihydro-5-nitro-6-oxo-

15. 6-hydroxy-5-nitro Nicotinic Acid

16. 6hydroxy-5-nitronicotinic Acid

17. Schembl2637045

18. Schembl4912309

19. 5-nitro-6-hydroxynicotinic Acid

20. Dtxsid70287689

21. Vjmxjgvevasjod-uhfffaoysa-n

22. Smssf-0017630

23. Cx1103

24. Nsc-52204

25. Sbb068805

26. Akos000265228

27. Akos005255267

28. Cs-w002917

29. Fh33652

30. Gs-6144

31. Sb12054

32. 5-nitro-6-oxo-1,6-dihydronicotinic Acid

33. Ac-24948

34. Sy006707

35. Db-029304

36. 6-hydroxy-5-nitro-3-pyridinecarboxylic Acid

37. H1410

38. En300-139034

39. F046501

40. 6-hydroxy-5-nitropyridine-3-carboxylic Acid, 97%

41. 5-nitro-6-oxo-1,6-dihydro-3-pyridinecarboxylic Acid

42. Z1198171772

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₄N₂O₅
Molecular Weight	184.11 g/mol
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	112
Heavy Atom Count	13
Formal Charge	0
Complexity	349
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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