CAS 73781-91-6

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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 Formula	C₇H₆ClNO₂
Molecular Weight	171.58 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	171.0087061 g/mol
Monoisotopic Mass	171.0087061 g/mol
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151
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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