Cas no 864681-27-6 (Methanone,[4-(dimethylamino)phenyl](3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-)
- structure](https://ossimg.kuujia.com/scimg/865000/864681-27-6x500.png)
864681-27-6 structure
Product Name:Methanone,[4-(dimethylamino)phenyl](3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-
CAS No:864681-27-6
MF:C16H14IN3O
MW:391.206335544586
CID:835031
PubChem ID:58338404
Update Time:2025-04-19
Methanone,[4-(dimethylamino)phenyl](3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)- Chemical and Physical Properties
Names and Identifiers
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- Methanone, [4-(dimethylamino)phenyl](3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-
- [4-(Dimethylamino)phenyl](3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)me thanone
- METHANONE, [4-(DIMETHYLAMINO)PHENYL](3-IODO-1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-
- DGTUWNOYOCTATR-UHFFFAOYSA-N
- (4-Dimethylamino-phenyl)-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-methanone
- SCHEMBL2182682
- Methanone,[4-(dimethylamino)phenyl](3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-
- 864681-27-6
-
- Inchi： 1S/C16H14IN3O/c1-20(2)12-5-3-10(4-6-12)15(21)11-7-13-14(17)9-19-16(13)18-8-11/h3-9H,1-2H3,(H,18,19)
- InChI Key： DGTUWNOYOCTATR-UHFFFAOYSA-N
- SMILES： IC1=CNC2C1=CC(=CN=2)C(C1C=CC(=CC=1)N(C)C)=O
Computed Properties
- Exact Mass: 391.01816g/mol
- Monoisotopic Mass: 391.01816g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 382
- 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: 3.4
- Topological Polar Surface Area: 49?2
Methanone,[4-(dimethylamino)phenyl](3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
864681-27-6 (Methanone,[4-(dimethylamino)phenyl](3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-) Related Products
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