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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, C13h12fn3o2, 4-(4-amino-3-fluorophenoxy)-n-methyl-2-pyridinecarboxamide
Molecular Formula
C13H12FN3O2
Molecular Weight
261.25  g/mol
InChI Key
ZQHJPIPGBODVTG-UHFFFAOYSA-N

CAS 757251-39-1
1 2D Structure

CAS 757251-39-1

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 Weight 261.25 g/mol
Molecular Formula C13H12FN3O2
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass261.09135480 g/mol
Monoisotopic Mass261.09135480 g/mol
Topological Polar Surface Area77.2 Ų
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

BUILDING BLOCK

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