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CHEMISTRY

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Chemistry

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Also known as: 52092-47-4, 2-nitro-5-chloropyridine, Mfcd03092916, 3-chloro-6-nitropyridine, Pyridine, 5-chloro-2-nitro-, 5-chloro-2-nitro-pyridine

Molecular Formula

C₅H₃ClN₂O₂

Molecular Weight

158.54 g/mol

InChI Key

YUBHMOQVHOODEI-UHFFFAOYSA-N

CAS 52092-47-4

1 2D Structure

CAS 52092-47-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-chloro-2-nitropyridine

2.1.2 InChI

InChI=1S/C5H3ClN2O2/c6-4-1-2-5(7-3-4)8(9)10/h1-3H

2.1.3 InChI Key

YUBHMOQVHOODEI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=NC=C1Cl)[N+](=O)[O-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 52092-47-4

2. 2-nitro-5-chloropyridine

3. Mfcd03092916

4. 3-chloro-6-nitropyridine

5. Pyridine, 5-chloro-2-nitro-

6. 5-chloro-2-nitro-pyridine

7. Nsc90388

8. Ribociclib Intermediates

9. Nciopen2_001326

10. Schembl851644

11. Schembl17525875

12. Dtxsid90293525

13. 5-chloro-2-nitropyridine, 97%

14. Yubhmoqvhoodei-uhfffaoysa-n

15. Bcp09359

16. Nsc-90388

17. Akos000431607

18. Cs-w002991

19. Ps-4114

20. Sb53003

21. Ac-23544

22. Sy013411

23. Db-005376

24. A7656

25. Am20070239

26. En300-08929

27. 5-chloro-2-nitr5-chloro-2-nitropyridineopyridine

28. J-517330

29. Z104475594

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₃ClN₂O₂
Molecular Weight	158.54 g/mol
XLogP3	1.6
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	10
Formal Charge	0
Complexity	136
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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