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CAS 73781-91-6 manufacturers and suppliers on PharmaCompass

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  • Chemistry
CAS 73781-91-6
Also known as: 73781-91-6, Methyl 6-chloropyridine-3-carboxylate, 6-chloronicotinic acid methyl ester, Methyl 2-chloropyridine-5-carboxylate, 3-pyridinecarboxylic acid, 6-chloro-, methyl ester, Mfcd00023420
Molecular Formula
C7H6ClNO2
Molecular Weight
171.58  g/mol
InChI Key
RMEDXVIWDFLGES-UHFFFAOYSA-N

1 2D Structure

CAS 73781-91-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 6-chloropyridine-3-carboxylate
2.1.2 InChI
InChI=1S/C7H6ClNO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3
2.1.3 InChI Key
RMEDXVIWDFLGES-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)C1=CN=C(C=C1)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 73781-91-6

2. Methyl 6-chloropyridine-3-carboxylate

3. 6-chloronicotinic Acid Methyl Ester

4. Methyl 2-chloropyridine-5-carboxylate

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

6. Mfcd00023420

7. Methyl 6-chloro-3-pyridinecarboxylate

8. 6-chloro-3-pyridinecarboxylic Acid Methyl Ester

9. Methyl-6-chloronicotinate

10. Methyl 6-chloro-nicotinate

11. Methyl-6-chloro-nicotinate

12. Schembl64640

13. Methyl 6-chloro-3-picolinate

14. 6-chloro-3-carbomethoxypyridine

15. Dtxsid00291810

16. 2-chloro-5-methoxycarbonylpyridine

17. Zinc153667

18. Act02458

19. Albb-006243

20. Nsc78316

21. Str06333

22. 6-chloro-nicotinic Acid Methyl Ester

23. 6-chloronicotinic Acid, Methyl Ester

24. Nsc-78316

25. Rb1062

26. Stk503782

27. 6-chloro Nicotinic Acid, Methyl Ester

28. Akos004910687

29. 2f-320s

30. Cs-w004062

31. Methyl 6-chloro-3-pyridine Carboxylate

32. Methyl 6-chloranylpyridine-3-carboxylate

33. Ac-24950

34. Bp-11896

35. Sy006706

36. Db-013511

37. Am20070109

38. Ft-0621082

39. M1980

40. Methyl 6-chloropyridine-3-carboxylate, 98%

41. 6-chloropyridine-3-carboxylic Acid Methyl Ester

42. 2-chloro-5-pyridinecarboxylic Acid Methyl Ester

43. 6-chloro-3-pyridinecarboxylic Acid, Methyl Ester

44. A837923

45. Q-101256

46. F2189-0083

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 171.58 g/mol
Molecular Formula C7H6ClNO2
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass171.0087061 g/mol
Monoisotopic Mass171.0087061 g/mol
Topological Polar Surface Area39.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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