Cas no 37128-60-2 ((2-ethyl-1h-indol-3-yl)-pyridin-4-ylmethanone)
37128-60-2 structure
Product Name:(2-ethyl-1h-indol-3-yl)-pyridin-4-ylmethanone
CAS No:37128-60-2
MF:C16H14N2O
MW:250.295163631439
CID:922000
PubChem ID:326302
Update Time:2025-04-19
(2-ethyl-1h-indol-3-yl)-pyridin-4-ylmethanone Chemical and Physical Properties
Names and Identifiers
-
- (2-ethyl-1h-indol-3-yl)-pyridin-4-ylmethanone
- (2-ethyl-indol-3-yl)-pyridin-4-yl-methanone
- 4-Pyridyl 3-(2-ethyl)indolyl ketone
- AC1L6Y2M
- NSC297342
- NSC-297342
- DTXSID30315790
- 37128-60-2
- (2-Ethyl-1H-indol-3-yl)(pyridin-4-yl)methanone
-
- Inchi： 1S/C16H14N2O/c1-2-13-15(12-5-3-4-6-14(12)18-13)16(19)11-7-9-17-10-8-11/h3-10,18H,2H2,1H3
- InChI Key： CDFJGEUHASVGIT-UHFFFAOYSA-N
- SMILES： O=C(C1C=CN=CC=1)C1C2C=CC=CC=2NC=1CC
Computed Properties
- Exact Mass: 250.11072
- Monoisotopic Mass: 250.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 325
- 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: 3.2
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 45.75
- LogP: 3.35630
(2-ethyl-1h-indol-3-yl)-pyridin-4-ylmethanone Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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