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Technical details about Methyl 4-chloropicolinate hydrochloride, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: 176977-85-8, Methyl 4-chloropyridine-2-carboxylate hydrochloride, 4-chloro-pyridine-2-carboxylic acid methyl ester hydrochloride, Methyl 4-chloro-2-pyridinecarboxylate hydrochloride, Methyl 4-chloropicolinate, hcl, Methyl 4-chloropicolinate hydrochloride salt
Molecular Formula
C7H7Cl2NO2
Molecular Weight
208.04  g/mol
InChI Key
PAGFSBPYVNFHAS-UHFFFAOYSA-N

1 2D Structure

2D Structure

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

1. 176977-85-8

2. Methyl 4-chloropyridine-2-carboxylate Hydrochloride

3. 4-chloro-pyridine-2-carboxylic Acid Methyl Ester Hydrochloride

4. Methyl 4-chloro-2-pyridinecarboxylate Hydrochloride

5. Methyl 4-chloropicolinate, Hcl

6. Methyl 4-chloropicolinate Hydrochloride Salt

7. 4-chloropyridine-2-carboxylic Acid Methyl Ester Hydrochloride

8. Methyl 4-chloropyridine-2-carboxylate;hydrochloride

9. Discontinued See M294457

10. Methyl 4-chloropyridine-2-carboxylate,hydrochloride

11. Schembl177902

12. Dtxsid80586514

13. Ab3942

14. Methyl 4-chloropicolinate Hcl

15. Mfcd05864729

16. Akos015845730

17. Cs-w015242

18. Fs-4002

19. Pb18698

20. Db-001957

21. Am20070186

22. Ft-0652358

23. Methyl 4-chloropyridine-2-carboxylate Hci Salt

24. Methyl 4-chloropyridine-2-carboxylate Hcl Salt

25. 977c858

26. Methyl 4-chloropyridine-2-carboxylate Hcl

27. J-522336

28. 4-chloro-pyridine-2-carboxylic Acid Methyl Ester Hcl Salt

29. 4-chloro-pyridine-2-carboxylic Acid Methyl Ester Hcl

30. Methyl 4-chloropyridine-2-carboxylate--hydrogen Chloride (1/1)

31. 4-chloro-pyridine-2-carboxylic Acid Methyl Ester Hydrochloride, Aldrichcpr

2.3 Create Date
2007-08-09
3 Chemical and Physical Properties
Molecular Weight 208.04 g/mol
Molecular Formula C7H7Cl2NO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass206.9853839 g/mol
Monoisotopic Mass206.9853839 g/mol
Topological Polar Surface Area39.2 Ų
Heavy Atom Count12
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 Count2