176977-85-8

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

CHEMISTRY

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 18 Related Intermediates

1 Suppliers
1 End Use APIs
18 Related Intermediates

Chemistry

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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

176977-85-8

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 Formula	C₇H₇Cl₂NO₂
Molecular Weight	208.04 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	206.9853839 g/mol
Monoisotopic Mass	206.9853839 g/mol
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	12
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	2