Please Wait
Applying Filters...
Menu
Xls
2D Structure
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

1 2D Structure

2D Structure

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