1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6-chloro-5-nitropyridine-3-carboxylic acid

2.1.2 InChI

InChI=1S/C6H3ClN2O4/c7-5-4(9(12)13)1-3(2-8-5)6(10)11/h1-2H,(H,10,11)

2.1.3 InChI Key

HCRHNMXCDNACMH-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Refchem:541804

2. 690-443-1

3. 6-chloro-5-nitronicotinic Acid

4. 7477-10-3

5. Mfcd09027297

6. 3-pyridinecarboxylicacid, 6-chloro-5-nitro-

7. 6-chloro-5-nitro-3-pyridinecarboxylic Acid

8. 6-chloro-5-nitronicotinicacid

9. 2-chloro-3-nitro-5-pyridinecarboxylic Acid

10. Nsc404695

11. Chloro-5-nitronicotinic Acid

12. Schembl487379

13. Schembl31090135

14. 6-chloro-5-nitro-nicotinic Acid

15. Dtxsid90323699

16. Hcrhnmxcdnacmh-uhfffaoysa-n

17. Cl0240

18. Akos015851214

19. Cs-w008886

20. Nsc-404695

21. Pb27963

22. Ac-23183

23. Ds-12170

24. 6-chloro-5-nitronicotinic Acid, Aldrichcpr

25. Db-010163

26. 6-chloro-5-nitro-pyridine-3-carboxylic Acid

27. En300-106043

28. F079563

29. Z1269191378

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₃ClN₂O₄
Molecular Weight	202.55 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	96
Heavy Atom Count	13
Formal Charge	0
Complexity	229
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 7477-10-3

CAS 7477-10-3

CHEMISTRY

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