Cas no 796033-00-6 (1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-1-(phenylmethyl)-)
![1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-1-(phenylmethyl)- structure](https://ossimg.kuujia.com/scimg/796500/796033-00-6x500.png)
796033-00-6 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-1-(phenylmethyl)-
CAS No:796033-00-6
MF:C15H11ClN2O2
MW:286.713042497635
CID:835025
PubChem ID:73013657
Update Time:2025-04-19
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-1-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-benzyl-4-chloropyrrolo[2,3-b]pyridine-5-carboxylic acid
- 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-1-(phenylmethyl)-
- 796033-00-6
-
- Inchi： 1S/C15H11ClN2O2/c16-13-11-6-7-18(9-10-4-2-1-3-5-10)14(11)17-8-12(13)15(19)20/h1-8H,9H2,(H,19,20)
- InChI Key： VFJHPCVEKXUZTH-UHFFFAOYSA-N
- SMILES： ClC1C(C(=O)O)=CN=C2C=1C=CN2CC1C=CC=CC=1
Computed Properties
- Exact Mass: 286.0509053g/mol
- Monoisotopic Mass: 286.0509053g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 360
- 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
- Topological Polar Surface Area: 55.1?2
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-1-(phenylmethyl)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
796033-00-6 (1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-1-(phenylmethyl)-) Related Products
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