1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-bromo-2-(2-methyltetrazol-5-yl)pyridine

2.1.2 InChI

InChI=1S/C7H6BrN5/c1-13-11-7(10-12-13)6-3-2-5(8)4-9-6/h2-4H,1H3

2.1.3 InChI Key

JANKGNBDRWYWSN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1N=C(N=N1)C2=NC=C(C=C2)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 380380-64-3

2. 5-bromo-2-(2-methyl-2h-tetrazol-5-yl)-pyridine

3. 5-bromo-2-(2-methyltetrazol-5-yl)pyridine

4. Pyridine, 5-bromo-2-(2-methyl-2h-tetrazol-5-yl)-

5. Torezolid Impurity 12

6. 5-bromo-2-(2-methyl-2h-1,2,3,4-tetrazol-5-yl)pyridine

7. Mfcd06796604

8. 2-(2-methyl-5-tetrazolyl)-5-bromopyridine

9. Schembl1557876

10. Amy9215

11. Dtxsid20634149

12. Act05123

13. Bcp09832

14. Cs-m1459

15. Zinc12650305

16. Akos015892140

17. Ac-9223

18. Ds-1537

19. Sb36940

20. Sy043282

21. Db-069619

22. 2-(2-methyltetrazol-5-yl)-5-bromopyridine

23. A6455

24. Ft-0630086

25. Bromo-2-(2-methyl-2h-tetrazol-5-yl)-pyridine

26. 5-bromo-2-(2-methyl-2h-tetrazol-5-yl)-pyridine, Aldrichcpr

2.3 Create Date

2007-12-06

3 Chemical and Physical Properties

Molecular Formula	C₇H₆BrN₅
Molecular Weight	240.06 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	238.98066 g/mol
Monoisotopic Mass	238.98066 g/mol
Topological Polar Surface Area	56.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	178
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

CAS 380380-64-3

CAS 380380-64-3

CHEMISTRY

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