CAS 381248-06-2

1 2D Structure

CAS 381248-06-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one

2.1.2 InChI

InChI=1S/C16H11BrN2O/c17-14-10-12(15-8-4-5-9-18-15)11-19(16(14)20)13-6-2-1-3-7-13/h1-11H

2.1.3 InChI Key

GSESXDVCGLBTLD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)N2C=C(C=C(C2=O)Br)C3=CC=CC=N3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 381248-06-2

2. 3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one

3. 3-bromo-1-phenyl-5-(pyridin-2-yl)-1,2-dihydropyridin-2-one

4. 3-bromo-1-phenyl-5-(pyridin-2-yl)pyridin-2(1h)-one

5. 5'-bromo-1'-phenyl-[2,3'-bipyridin]-6'(1'h)-one

6. 3-bromo-1-phenyl-5-(2-pyridyl)-2(1h)-pyridone

7. Schembl688116

8. [2,3'-bipyridin]-6'(1'h)-one, 5'-bromo-1'-phenyl-

9. Dtxsid90624698

10. Bcp11903

11. Mfcd21607392

12. Zinc91293273

13. Akos016028484

14. Ch-0052

15. A913063

16. 3-bromo-1-phenyl-5-pyridin-2-yl-2 (1h)-pyridone

17. 3-bromo-1-phenyl-5-pyridin-2-yl-2(1h)-pyridone

18. 3-bromo-1-phenyl-5-(pyridin-2-yl)-2(1h)-pyridone

19. 5'-bromo-1'-phenyl[2,3'-bipyridin]-6'(1'h)-one

20. 3-bromo-5-(2-pyridyl)-1-phenyl-1,2-dihydropyridine-2-one

21. 3-bromo-5-(2-pyridyl)-1-phenyl-1,2-dihydro-pyridine-2-one

22. 5'-bromo-1'-phenyl-1',6'-dihydro-[2,3'-bipyridine]-6'-one

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₁BrN₂O
Molecular Weight	327.17 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	326.00548 g/mol
Monoisotopic Mass	326.00548 g/mol
Topological Polar Surface Area	33.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	438
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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