CAS 59237-53-5

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Also known as: Dtxsid40323982, Refchem:817368, Dtxcid00275099, 691-005-2, 59237-53-5, Methyl 6-chloro-5-nitropyridine-3-carboxylate

Molecular Formula

C₇H₅ClN₂O₄

Molecular Weight

216.58 g/mol

InChI Key

BRPREIDVQXJOJH-UHFFFAOYSA-N

1 2D Structure

CAS 59237-53-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 6-chloro-5-nitropyridine-3-carboxylate

2.1.2 InChI

InChI=1S/C7H5ClN2O4/c1-14-7(11)4-2-5(10(12)13)6(8)9-3-4/h2-3H,1H3

2.1.3 InChI Key

BRPREIDVQXJOJH-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Dtxsid40323982

2. Refchem:817368

3. Dtxcid00275099

4. 691-005-2

5. 59237-53-5

6. Methyl 6-chloro-5-nitropyridine-3-carboxylate

7. Methyl6-chloro-5-nitronicotinate

8. Mfcd01928341

9. 6-chloro-5-nitronicotinic Acid Methyl Ester

10. 6-chloro-5-nitropyridine-3-carboxylic Acid Methyl Ester

11. Methyl 6-chloro-5-nitro-nicotinate

12. Nsc405361

13. 3-pyridinecarboxylic Acid, 6-chloro-5-nitro-, Methyl Ester

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

15. Methyl 6-chloro-5-nitro-pyridine-3-carboxylate

16. Schembl70813

17. Methyl 2-chloro-3-nitropyridine-5-carboxylate

18. Chembl1973028

19. Brpreidvqxjojh-uhfffaoysa-n

20. Methyl 6-chloro-5-nitronicotinoate

21. Cs-b0656

22. Cl0241

23. Sbb095315

24. Akos005264545

25. Ab10536

26. Gs-3917

27. Nsc 405361

28. Nsc-405361

29. Ac-23254

30. Bp-11553

31. Nci60_003831

32. Sy031498

33. 6-chloro-5-nitro Methyl Nicotinate

34. Db-013407

35. Db-360848

36. En300-189323

37. Aj-333/36116028

38. F092486

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₅ClN₂O₄
Molecular Weight	216.58 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	85
Heavy Atom Count	14
Formal Charge	0
Complexity	242
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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