CAS 49608-01-7

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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

CAS 49608-01-7

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 Formula	C₈H₈ClNO₂
Molecular Weight	185.61 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	185.0243562 g/mol
Monoisotopic Mass	185.0243562 g/mol
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	163
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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