Cas no 37128-59-9 ( )
structure
Product Name:
CAS No:37128-59-9
MF:C16H14N2O
MW:250.295163631439
CID:921999
PubChem ID:326301
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- (2-ethyl-1H-indol-3-yl)-pyridin-3-ylmethanone
- DTXSID20315789
- NSC-297341
- NSC297341
- (2-Ethyl-1H-indol-3-yl)(pyridin-3-yl)methanone
- 37128-59-9
-
-
- Inchi： 1S/C16H14N2O/c1-2-13-15(12-7-3-4-8-14(12)18-13)16(19)11-6-5-9-17-10-11/h3-10,18H,2H2,1H3
- InChI Key： MJDDXYKHALIFSZ-UHFFFAOYSA-N
- SMILES： O=C(C1C=NC=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: 331
- 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
Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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