Cas no 920965-86-2 (1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 4-chloro-1-(phenylsulfonyl)-)
![1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 4-chloro-1-(phenylsulfonyl)- structure](https://ossimg.kuujia.com/scimg/921000/920965-86-2x500.png)
920965-86-2 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 4-chloro-1-(phenylsulfonyl)-
CAS No:920965-86-2
MF:C14H8ClN3O2S
MW:317.750220298767
CID:754985
PubChem ID:49759087
Update Time:2025-04-19
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 4-chloro-1-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 4-chloro-1-(phenylsulfonyl)-
- 1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine-3-carbonitrile
- 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONITRILE,4-CHLORO-1-(PHENYLSULFONYL)
- 4-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
- 920965-86-2
- 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile,4-chloro-1-(phenylsulfonyl)-
- KACVWNPHKPVGLF-UHFFFAOYSA-N
- SCHEMBL2104972
- 1-(Benzenesulfonyl)-4-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
- DTXSID70678013
-
- Inchi： 1S/C14H8ClN3O2S/c15-12-6-7-17-14-13(12)10(8-16)9-18(14)21(19,20)11-4-2-1-3-5-11/h1-7,9H
- InChI Key： KACVWNPHKPVGLF-UHFFFAOYSA-N
- SMILES： ClC1C=CN=C2C=1C(C#N)=CN2S(C1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 317.00300
- Monoisotopic Mass: 317.0025754g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 532
- 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: 2.8
- Topological Polar Surface Area: 84.1?2
Experimental Properties
- PSA: 84.13000
- LogP: 3.87918
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 4-chloro-1-(phenylsulfonyl)- Related Literature
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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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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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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