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Also known as: 877399-00-3, 5-bromo-3-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine, (r)-5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine, Mfcd18207061, Ec 700-798-7, Amy274
Molecular Formula
C13H10BrCl2FN2O
Molecular Weight
380.0  g/mol
InChI Key
URFUZAZEKBBCEY-ZCFIWIBFSA-N

CAS 877399-00-3
1 2D Structure

CAS 877399-00-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-bromo-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
2.1.2 InChI
InChI=1S/C13H10BrCl2FN2O/c1-6(11-8(15)2-3-9(17)12(11)16)20-10-4-7(14)5-19-13(10)18/h2-6H,1H3,(H2,18,19)/t6-/m1/s1
2.1.3 InChI Key
URFUZAZEKBBCEY-ZCFIWIBFSA-N
2.1.4 Canonical SMILES
CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)Br)N
2.1.5 Isomeric SMILES
C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)Br)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 877399-00-3

2. 5-bromo-3-[(1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

3. (r)-5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine

4. Mfcd18207061

5. Ec 700-798-7

6. Amy274

7. Schembl1823429

8. Dtxsid10470674

9. Bcp26375

10. Cs-m0266

11. Zinc38252749

12. Akos016000207

13. Ac-25086

14. Ds-18416

15. B5682

16. F11537

17. A849911

18. (r)-3-(1-(2,6-dichloro-3-fluorophenyl)ethyoxyl)-5-bromo-2-aminopyridine

19. (r)-5-bromo-3-(1-(2,6-dichloro-3-fluorophenyl)-ethoxy)pyridin-2-amine

20. [5-bromo-3-[[(r)-1-(2,6-dichloro-3-fluorophenyl)ethyl]oxy]pyridin-2-yl]amine

21. 5-bromo-3-[(1r)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridin-2-ylamine

22. 5-bromo-3-[(r)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridin-2-ylamine

23. 5-bromo-3-[1-(r)-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridin-2-ylamine

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 380.0 g/mol
Molecular Formula C13H10BrCl2FN2O
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass377.93376 g/mol
Monoisotopic Mass377.93376 g/mol
Topological Polar Surface Area48.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity329
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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