1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-fluoro-3-iodo-2H-pyrazolo[3,4-b]pyridine

2.1.2 InChI

InChI=1S/C6H3FIN3/c7-3-1-4-5(8)10-11-6(4)9-2-3/h1-2H,(H,9,10,11)

2.1.3 InChI Key

HSJHOTUQSLQXLL-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

BN7NZV7HCM

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 5-fluoro-3-iodo-1h-pyrazolo[3,4-b]pyridine

2. 1350653-23-4

3. 5-fluoro-3-iodo-2h-pyrazolo[3,4-b]pyridine

4. 1h-pyrazolo[3,4-b]pyridine, 5-fluoro-3-iodo-

5. Mfcd20923264

6. Bn7nzv7hcm

7. C6h3fin3

8. Schembl174737

9. Dtxsid60735442

10. Hsjhotuqslqxll-uhfffaoysa-n

11. Pb21538

12. 5-fluoro-3-iodopyrazolo[3,4-b]pyridine

13. As-82414

14. Sy098167

15. Db-185795

16. Cs-0054360

17. 5-fluoro-3-iod-1h-pyrazolo[3,4-b]pyridine

2.4 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₆H₃FIN₃
Molecular Weight	263.01 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	41.6
Heavy Atom Count	11
Formal Charge	0
Complexity	157
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 1350653-23-4