Cas no 27049-13-4 (Ethanedione, (6-methyl-2-pyridinyl)phenyl-)
27049-13-4 structure
Product Name:Ethanedione, (6-methyl-2-pyridinyl)phenyl-
CAS No:27049-13-4
MF:C14H11NO2
MW:225.242643594742
CID:1429353
PubChem ID:71357668
Update Time:2025-04-20
Ethanedione, (6-methyl-2-pyridinyl)phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Ethanedione, (6-methyl-2-pyridinyl)phenyl-
- 1-(6-methylpyridin-2-yl)-2-phenylethane-1,2-dione
- 1-(6-Methylpyridin-2-yl)-2-phenylethanedione
- 27049-13-4
- DTXSID40781725
-
- Inchi： 1S/C14H11NO2/c1-10-6-5-9-12(15-10)14(17)13(16)11-7-3-2-4-8-11/h2-9H,1H3
- InChI Key： BGAXKFXEVJHERT-UHFFFAOYSA-N
- SMILES： O=C(C(C1C=CC=CC=1)=O)C1C=CC=C(C)N=1
Computed Properties
- Exact Mass: 225.07903
- Monoisotopic Mass: 225.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 295
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 47?2
Experimental Properties
- PSA: 47.03
Ethanedione, (6-methyl-2-pyridinyl)phenyl- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
27049-13-4 (Ethanedione, (6-methyl-2-pyridinyl)phenyl-) Related Products
- 27049-45-2(2-phenyl-1-(pyridin-2-yl)ethan-1-one)
- 492-73-9(bis(pyridin-2-yl)ethane-1,2-dione)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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