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2D Structure
Also known as: 49608-01-7, Ethyl 6-chloropyridine-3-carboxylate, Ethyl 6-chloro-3-pyridinecarboxylate, 6-chloronicotinic acid ethyl ester, 6-chloro-nicotinic acid ethyl ester, Ethyl 6-chloro nicotinate
Molecular Formula
C8H8ClNO2
Molecular Weight
185.61  g/mol
InChI Key
ILDJJTQWIZLGPO-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 6-chloropyridine-3-carboxylate
2.1.2 InChI
InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3
2.1.3 InChI Key
ILDJJTQWIZLGPO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=CN=C(C=C1)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 49608-01-7

2. Ethyl 6-chloropyridine-3-carboxylate

3. Ethyl 6-chloro-3-pyridinecarboxylate

4. 6-chloronicotinic Acid Ethyl Ester

5. 6-chloro-nicotinic Acid Ethyl Ester

6. Ethyl 6-chloro Nicotinate

7. Mfcd00082739

8. Ethyl 2-chloro-5-pyridinecarboxylate

9. 3-pyridinecarboxylic Acid, 6-chloro-, Ethyl Ester

10. Ethyl6-chloronicotinate

11. 6-chloro Nicotinic Acid Ethyl Ester

12. Ethyl-6-chloronicotinate

13. Ethyl 6-chloronicotinoate

14. Ethyl 6-chloro-nicotinate

15. Ethyl-6-chloro-nicotinate

16. 2-chloro-5-pyridinecarboxylic Acid Ethyl Ester

17. Schembl71884

18. Dtxsid60384090

19. Zinc166523

20. Bcp08780

21. Ar3113

22. Ethyl 2-chloropyridine-5-carboxylate

23. Akos000121099

24. Ac-6236

25. Cs-w002340

26. Ps-4662

27. Sy018316

28. Db-007498

29. Ethyl 6-chloropyridine-3-carboxylate, 97%

30. 2-chloro-5-pyridinecarboxylicacid Ethylester

31. Am20061255

32. E0852

33. Ft-0601486

34. Ft-0621018

35. En300-34595

36. 2-chloropyridine-5-carboxylic Acid Ethyl Ester

37. Q-102828

38. 6-chloro-3-pyridinecarboxylic Acid Ethyl Ester

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 185.61 g/mol
Molecular Formula C8H8ClNO2
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass185.0243562 g/mol
Monoisotopic Mass185.0243562 g/mol
Topological Polar Surface Area39.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1