Cas no 757983-02-1 (Benzoic acid, 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-, ethyl ester)
![Benzoic acid, 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-, ethyl ester structure](https://ossimg.kuujia.com/scimg/758000/757983-02-1x500.png)
757983-02-1 structure
Product Name:Benzoic acid, 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-, ethyl ester
CAS No:757983-02-1
MF:C16H13IN2O2
MW:392.191096067429
CID:835023
PubChem ID:57830153
Update Time:2025-04-19
Benzoic acid, 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-, ethyl ester
- Ethyl 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoate
- 757983-02-1
- SCHEMBL8320126
- Benzoic acid,4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-,ethyl ester
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- Inchi： 1S/C16H13IN2O2/c1-2-21-16(20)11-5-3-10(4-6-11)12-7-13-14(17)9-19-15(13)18-8-12/h3-9H,2H2,1H3,(H,18,19)
- InChI Key： XVENNQIEXLHRMA-UHFFFAOYSA-N
- SMILES： IC1=CNC2C1=CC(=CN=2)C1C=CC(C(=O)OCC)=CC=1
Computed Properties
- Exact Mass: 392.00218g/mol
- Monoisotopic Mass: 392.00218g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 371
- 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: 3.8
- Topological Polar Surface Area: 55?2
Benzoic acid, 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-, ethyl ester Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
757983-02-1 (Benzoic acid, 4-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-, ethyl ester) Related Products
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