CAS 23056-39-5

1 2D Structure

CAS 23056-39-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-4-methyl-3-nitropyridine

2.1.2 InChI

InChI=1S/C6H5ClN2O2/c1-4-2-3-8-6(7)5(4)9(10)11/h2-3H,1H3

2.1.3 InChI Key

JHARVUVBTAAPLA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=NC=C1)Cl)[N+](=O)[O-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 23056-39-5

2. 2-chloro-3-nitro-4-picoline

3. 2-chloro-3-nitro-4-methylpyridine

4. Pyridine, 2-chloro-4-methyl-3-nitro-

5. Mfcd00012347

6. Nsc402977

7. 2-chloro-3-nitro4-picoline

8. Schembl541578

9. Dtxsid30323072

10. 2-chlor-4-methyl-3-nitropyridin

11. Act01484

12. Bcp07287

13. Zinc1595321

14. Akos005145616

15. Ac-5434

16. Cs-w020672

17. Nsc 402977

18. Nsc-402977

19. Pb12972

20. Ps-4628

21. Sy008500

22. 2-chloro-4-methyl-3-nitropyridine, 99%

23. Db-005221

24. Am20070053

25. Ft-0601488

26. En300-77834

27. 056c395

28. W-206804

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₅ClN₂O₂
Molecular Weight	172.57 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	58.7
Heavy Atom Count	11
Formal Charge	0
Complexity	159
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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