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Overview of CAS 536760-29-9

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4CH-011604
PharmaCompass
4CH-011604
Also known as: 536760-29-9, 3-chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1h)-one, 3-chloro-5,6-dihydro-1-(4-nitrophenyl)-2(1h)-pyridinone, 2(1h)-pyridinone, 3-chloro-5,6-dihydro-1-(4-nitrophenyl)-, Ak-89864, 3-chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2-one
Molecular Formula
C11H9ClN2O3
Molecular Weight
252.654  g/mol
InChI Key
DOUAPYNOGMHPFD-UHFFFAOYSA-N

1 2D Structure

4CH-011604

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-chloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one
2.1.2 InChI
InChI=1S/C11H9ClN2O3/c12-10-2-1-7-13(11(10)15)8-3-5-9(6-4-8)14(16)17/h2-6H,1,7H2
2.1.3 InChI Key
DOUAPYNOGMHPFD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(C(=O)C(=C1)Cl)C2=CC=C(C=C2)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 536760-29-9

2. 3-chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1h)-one

3. 3-chloro-5,6-dihydro-1-(4-nitrophenyl)-2(1h)-pyridinone

4. 2(1h)-pyridinone, 3-chloro-5,6-dihydro-1-(4-nitrophenyl)-

5. Ak-89864

6. 3-chloro-1-(4-nitrophenyl)-5,6-dihydropyridin-2-one

7. Apixaban Related Compound 2

8. Schembl8243895

9. Ctk8b4270

10. Dtxsid90470632

11. Molport-021-783-247

12. Cs-m0373

13. Ks-00000pv2

14. Anw-44563

15. Mfcd18207128

16. Zinc38247346

17. Akos015951085

18. An-3495

19. Qc-7558

20. Vz26660

21. Ac-26841

22. Aj-94788

23. Da-16944

24. Ds-16656

25. Kb-70605

26. Ab1008474

27. Ax8227742

28. Tc-133308

29. 4ch-011604

30. Ft-0758197

31. St24022816

32. X6168

33. J-512260

34. 5-chloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one

35. 3-chloro-5, 6-dihydro-1-(4-nitrophenyl)-2(1h)-pyridinone

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 252.654 g/mol
Molecular Formula C11H9ClN2O3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass252.03 g/mol
Monoisotopic Mass252.03 g/mol
Topological Polar Surface Area66.1 A^2
Heavy Atom Count17
Formal Charge0
Complexity356
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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