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 Formula	C₁₃H₁₀BrCl₂FN₂O
Molecular Weight	380.0 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	377.93376 g/mol
Monoisotopic Mass	377.93376 g/mol
Topological Polar Surface Area	48.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	329
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS 877399-00-3

Chemistry

3 End Use API

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