CAS 113975-22-7

1 2D Structure

CAS 113975-22-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-fluoro-3-iodopyridine

2.1.2 InChI

InChI=1S/C5H3FIN/c6-5-4(7)2-1-3-8-5/h1-3H

2.1.3 InChI Key

WCDCAXVNBOLWNO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(N=C1)F)I

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 113975-22-7

2. Pyridine, 2-fluoro-3-iodo-

3. 2-fluoro-3-iodo-pyridine

4. Mfcd03095287

5. 2-fluoro-3 Iodopyridine

6. 2-fluoro-3-iodo-pyridin

7. 2- Fluoro-3-iodopyridine

8. Schembl320677

9. 2-fluoro-3-iodopyridine, 97%

10. Dtxsid60426560

11. Wcdcaxvnbolwno-uhfffaoysa-n

12. Cs-d0937

13. Akos005063878

14. Ab13652

15. Ac-3163

16. Ds-1318

17. Ps-7810

18. Sy004135

19. Am20050680

20. F0733

21. Ft-0601878

22. En300-83023

23. A803112

24. W-204827

25. Z1238548161

2.3 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₅H₃FIN
Molecular Weight	222.99 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	12.9
Heavy Atom Count	8
Formal Charge	0
Complexity	78.8
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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