1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(4-amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide

2.1.2 InChI

InChI=1S/C13H12FN3O2/c1-16-13(18)12-7-9(4-5-17-12)19-8-2-3-11(15)10(14)6-8/h2-7H,15H2,1H3,(H,16,18)

2.1.3 InChI Key

ZQHJPIPGBODVTG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)N)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 757251-39-1

2. 4-(4-amino-3-fluorophenoxy)-n-methylpyridine-2-carboxamide

3. 2-pyridinecarboxamide,4-(4-amino-3-fluorophenoxy)-n-methyl-

4. 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylic Acid Methylamide

5. C13h12fn3o2

6. 4-(4-amino-3-fluorophenoxy)-n-methyl-2-pyridinecarboxamide

7. Ec 692-721-8

8. Schembl400592

9. Amy8751

10. Dtxsid10676336

11. Chebi:188516

12. Bcp04468

13. Zinc8764138

14. 4-(4-amino-3-fluoro-phenoxy)-pyridine-2-carboxylic Acid Methylamide

15. Mfcd09033852

16. Akos010944888

17. Ac-25910

18. As-19584

19. Cs-0006964

20. Ft-0687293

21. J3.555.584f

22. 251p391

23. A848332

24. A1-01707

25. 4-(4-amino-3-luorophenoxy)-n-methylpyridine-2-carboxamide

26. 4-[4-amino-3-(fluoro)phenoxy]-n-methylpyridine-2-carboxamide

27. 4-(4amino-3-fluoro-phenoxy)-pyridine-2-carboxylic Acid Methylamide

2.3 Create Date

2010-08-06

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₂FN₃O₂
Molecular Weight	261.25 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	261.09135480 g/mol
Monoisotopic Mass	261.09135480 g/mol
Topological Polar Surface Area	77.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	316
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 757251-39-1

CAS 757251-39-1

CHEMISTRY

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