Cas no 1378606-48-4 (1-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanone)
![1-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanone structure](https://ossimg.kuujia.com/scimg/1379000/1378606-48-4x500.png)
1378606-48-4 structure
Product Name:1-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanone
CAS No:1378606-48-4
MF:C9H7ClN2O
MW:194.61768078804
CID:1082509
PubChem ID:72206827
Update Time:2025-04-20
1-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanone Chemical and Physical Properties
Names and Identifiers
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- 1-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanone
- 1-{5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl}ethan-1-one
- 1378606-48-4
-
- Inchi： 1S/C9H7ClN2O/c1-5(13)8-6-2-3-11-9(6)12-4-7(8)10/h2-4H,1H3,(H,11,12)
- InChI Key： IFSOIXCWXQEUSX-UHFFFAOYSA-N
- SMILES： ClC1=CN=C2C(C=CN2)=C1C(C)=O
Computed Properties
- Exact Mass: 194.0246905g/mol
- Monoisotopic Mass: 194.0246905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 222
- 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: 1.6
- Topological Polar Surface Area: 45.8?2
1-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)ethanone Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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