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Overview of CAS 757251-39-1

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4CH-022148
PharmaCompass
4CH-022148
Also known as: 757251-39-1, 4-(4-amino-3-fluorophenoxy)-n-methylpyridine-2-carboxamide, 2-pyridinecarboxamide,4-(4-amino-3-fluorophenoxy)-n-methyl-, 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylic acid methylamide, Ak119007, A1-01707
Molecular Formula
C13H12FN3O2
Molecular Weight
261.256  g/mol
InChI Key
ZQHJPIPGBODVTG-UHFFFAOYSA-N

1 2D Structure

4CH-022148

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. Ak119007

6. A1-01707

7. Schembl400592

8. Ctk5e1921

9. Dtxsid10676336

10. Molport-009-684-280

11. Zqhjpipgbodvtg-uhfffaoysa-n

12. Ks-00000r0h

13. Zinc8764138

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

15. An-394

16. Mfcd09033852

17. Akos010944888

18. Ca-1814

19. Ac-25910

20. Aj-59237

21. As-19584

22. He054869

23. He197790

24. Sc-87819

25. Ax8244423

26. Kb-186872

27. 4ch-022148

28. Ft-0687293

29. St24042919

30. Y1138

31. 251p391

32. 4-(4-amino-3-fluorophenoxy)-n-methyl-2-pyridinecarboxamide

33. 2-pyridinecarboxamide, 4-(4-amino-3-fluorophenoxy)-n-methyl-

34. 4-(4-amino-3-fluoro-phenoxy)-n-methyl-pyridine-2-carboxamide

35. 4-[4-amino-3-(fluoro)phenoxy]-n-methylpyridine-2-carboxamide

36. 4-(4amino-3-fluoro-phenoxy)-pyridine-2-carboxylic Acid Methylamide

2.3 Create Date
2010-08-06
3 Chemical and Physical Properties
Molecular Weight 261.256 g/mol
Molecular Formula C13H12FN3O2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass261.091 g/mol
Monoisotopic Mass261.091 g/mol
Topological Polar Surface Area77.2 A^2
Heavy Atom Count19
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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