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1122-54-9 | 4-Acetylpyridine
CAS No: 1122-54-9 Catalog No: AG003KN2 MDL No:MFCD00006433
Product Description
Catalog Number:
AG003KN2
Chemical Name:
4-Acetylpyridine
CAS Number:
1122-54-9
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
MDL Number:
MFCD00006433
IUPAC Name:
1-pyridin-4-ylethanone
InChI:
InChI=1S/C7H7NO/c1-6(9)7-2-4-8-5-3-7/h2-5H,1H3
InChI Key:
WMQUKDQWMMOHSA-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccncc1
EC Number:
214-350-9
UNII:
G47437IOW7
NSC Number:
111
UN Number:
2810
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.053g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.139g/mol
Monoisotopic Mass:
121.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| The synthesis, spectroscopic, X-ray characterization and in vitro cytotoxic testing results of activity of five new trans-platinum(IV) complexes with functionalized pyridines. | European journal of medicinal chemistry 20120901 |
| catena-Poly[[(triphenyl-phosphane)copper(I)]-di-μ-iodido-[(triphenyl-phosphane)copper(I)]-μ-{1,2-bis-[1-(pyridin-4-yl)ethyl-idene]hydrazine}]. | Acta crystallographica. Section E, Structure reports online 20111001 |
| Open vessel and cooling while heating microwave-assisted synthesis of pyridinyl N-aryl hydrazones. | ACS combinatorial science 20110110 |
| Hexa-kis-(4-acetyl-pyridinium) octa-deca-chloridotetra-anti-monate(III). | Acta crystallographica. Section E, Structure reports online 20100701 |
| 4-Acetyl-pyridinium iodide. | Acta crystallographica. Section E, Structure reports online 20100701 |
| Ruthenium(II)-arene complexes with functionalized pyridines: synthesis, characterization and cytotoxic activity. | European journal of medicinal chemistry 20100301 |
| 2-Methyl-2,4-di-4-pyridyl-2,3-dihydro-1H-1,5-benzodiazepine acetic acid solvate. | Acta crystallographica. Section E, Structure reports online 20091201 |
| 4-Acetyl-pyridinium hydrogen sulfate. | Acta crystallographica. Section E, Structure reports online 20091001 |
| Two EE-azido-bridged nickel(II) layered compounds: vigorous twisted torsion angle Ni-N3-Ni results in ferromagnetic behavior. | Inorganic chemistry 20090803 |
| 4-Acetyl-pyridinium perchlorate. | Acta crystallographica. Section E, Structure reports online 20090801 |
| 4-Acetyl-pyridine-fumaric acid (2/1). | Acta crystallographica. Section E, Structure reports online 20090701 |
| Novel trans-dichloridoplatinum(II) complexes with 3- and 4-acetylpyridine: Synthesis, characterization, DFT calculations and cytotoxicity. | European journal of medicinal chemistry 20090501 |
| 3-Fluoro-benzoic acid-4-acetyl-pyridine (1/1) at 100 K. | Acta crystallographica. Section E, Structure reports online 20090201 |
| 4-Pyridyl carbonyl compounds as thrips lures: effectiveness for Western flower thrips in y-tube bioassays. | Journal of agricultural and food chemistry 20080813 |
| Toward prediction of alkane/water partition coefficients. | Journal of medicinal chemistry 20080710 |
| 4-pyridyl carbonyl and related compounds as thrips lures: effectiveness for onion thrips and new zealand flower thrips in field experiments. | Journal of agricultural and food chemistry 20070725 |
| Hydrogen-bonded assemblies of 20-(4-pyridyl)porphyrin-5(4),10(4),15(4)-tribenzoic acid with dimethyl sulfoxide and 4-acetylpyridine in their dimethyl sulfoxide and tetrahydrofuran solvates. | Acta crystallographica. Section C, Crystal structure communications 20070701 |
| Water induces a structural conversion and accelerates the oxygenation of carboxylate-bridged non-heme diiron enzyme synthetic analogues. | Inorganic chemistry 20060807 |
| Synthesis, anti-inflammatory and analgesic activity evaluation of some amidine and hydrazone derivatives. | Bioorganic & medicinal chemistry 20060701 |
| Cyanoacetic acid hydrazones of 3-(and 4-)acetylpyridine and some derived ring systems as potential antitumor and anti-HCV agents. | Archiv der Pharmazie 20060101 |
| Novel milrinone analogs of pyridine-3-carbonitrile derivatives as promising cardiotonic agents. | European journal of medicinal chemistry 20051201 |
| Purification and characterization of rat liver enzyme catalyzing stereoselective reduction of acetylpyridines. | Chirality 20051001 |
| Mono- and dinuclear tricarbonyltechnetium(I) complexes with thiosemicarbazones. | Inorganic chemistry 20050221 |
| Synthesis and anticonvulsant evaluation of some new 2-substituted-3-arylpyrido[2,3-d]pyrimidinones. | Bioorganic & medicinal chemistry 20041101 |
| Syntheses of 2-substituted indoles and fused indoles by photostimulated reactions of o-iodoanilines with carbanions by the SRN1 mechanism. | The Journal of organic chemistry 20030404 |
| Spectral studies of semicarbazones derived from 3- and 4-formylpyridine and 3- and 4-acetylpyridine: crystal and molecular structure of 3-formylpyridine semicarbazone. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20010801 |
| Normal coordinate analysis of 4-aminopyridine. Effect of substituent on pyridine ring in metal complexes of 4-substituted pyridines. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20010601 |
| Construction of Ru(II) Polypyridyl Based Macrocycles: Synthesis, Characterization, Electrochemical, Li Binding, Antitumour and Anti-HIV properties. | Metal-based drugs 20010101 |
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