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Also known as: 381248-06-2, 3-bromo-1-phenyl-5-pyridin-2-ylpyridin-2-one, 3-bromo-1-phenyl-5-(pyridin-2-yl)-1,2-dihydropyridin-2-one, 3-bromo-1-phenyl-5-(pyridin-2-yl)pyridin-2(1h)-one, 5'-bromo-1'-phenyl-[2,3'-bipyridin]-6'(1'h)-one, 3-bromo-1-phenyl-5-(2-pyridyl)-2(1h)-pyridone
Molecular Formula
C16H11BrN2O
Molecular Weight
327.17  g/mol
InChI Key
GSESXDVCGLBTLD-UHFFFAOYSA-N

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 Weight 327.17 g/mol
Molecular Formula C16H11BrN2O
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass326.00548 g/mol
Monoisotopic Mass326.00548 g/mol
Topological Polar Surface Area33.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity438
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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