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Also known as: 536760-29-9, 3-chloro-5,6-dihydro-1-(4-nitrophenyl)-2(1h)-pyridinone, 5-chloro-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one, 2(1h)-pyridinone, 3-chloro-5,6-dihydro-1-(4-nitrophenyl)-, 2(1h)-pyridine,3-chloro-5,6-dihydro-1-(4-nitrophenyl), Apixaban related compound 2
Molecular Formula
C11H9ClN2O3
Molecular Weight
252.65  g/mol
InChI Key
DOUAPYNOGMHPFD-UHFFFAOYSA-N

CAS 536760-29-9
1 2D Structure

CAS 536760-29-9

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

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

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

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

6. Apixaban Related Compound 2

7. Schembl8243895

8. Dtxsid90470632

9. Amy36801

10. Bcp11629

11. Cs-m0373

12. Mfcd18207128

13. Zinc38247346

14. Akos015951085

15. Fd10599

16. Ac-26841

17. Da-16944

18. Ds-16656

19. Ft-0758197

20. A850072

21. J-512260

22. 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 252.65 g/mol
Molecular Formula C11H9ClN2O3
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass252.0301698 g/mol
Monoisotopic Mass252.0301698 g/mol
Topological Polar Surface Area66.1 Ų
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

BUILDING BLOCK

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