CAS 86873-60-1

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Also known as: 86873-60-1, 5-chloropicolinic acid, 5-chloro-2-picolinic acid, 5-chloro-2-pyridinecarboxylic acid, Mfcd04114192, 5-chloro-picolinic acid

Molecular Formula

C₆H₄ClNO₂

Molecular Weight

157.55 g/mol

InChI Key

GJLOKYIYZIOIPN-UHFFFAOYSA-N

1 2D Structure

CAS 86873-60-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-chloropyridine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C6H4ClNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)

2.1.3 InChI Key

GJLOKYIYZIOIPN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=NC=C1Cl)C(=O)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 5-chloro-2-picolinic Acid

2.2.2 Depositor-Supplied Synonyms

1. 86873-60-1

2. 5-chloropicolinic Acid

3. 5-chloro-2-picolinic Acid

4. 5-chloro-2-pyridinecarboxylic Acid

5. Mfcd04114192

6. 5-chloro-picolinic Acid

7. 5-chloro-2-picolinicacid

8. Schembl211889

9. 5-chloropyridinecarboxylic Acid

10. Dtxsid90376529

11. 5-chloropyridin-2-carboxylic Acid

12. Gjlokyiyzioipn-uhfffaoysa-n

13. 3-chloropyridine-6-carboxylic Acid

14. Bcp05118

15. 5-chloro-2-pyridine Carboxylic Acid

16. Bbl101619

17. Stl555415

18. Akos005071858

19. Ab17962

20. Bb-0607

21. Cs-w016216

22. Fd17030

23. Ac-24951

24. Sy007343

25. Db-024272

26. Am20070093

27. C2736

28. En300-80716

29. 5-chloro-2-pyridinecarboxylic Acid, Aldrichcpr

30. J-517403

31. Z1201622823

32. 5-chloropicolinic Acid;5-chloropyridine-2-carboxylic Acid

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₆H₄ClNO₂
Molecular Weight	157.55 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	50.2
Heavy Atom Count	10
Formal Charge	0
Complexity	140
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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