Cas no 958358-01-5 (1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-broMo-6-Methyl-, 1,1-diMethylethyl ester)
![1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-broMo-6-Methyl-, 1,1-diMethylethyl ester structure](https://ossimg.kuujia.com/scimg/958500/958358-01-5x500.png)
958358-01-5 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-broMo-6-Methyl-, 1,1-diMethylethyl ester
CAS No:958358-01-5
MF:C13H15BrN2O2
MW:311.174402475357
CID:835121
PubChem ID:68992701
Update Time:2025-04-19
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-broMo-6-Methyl-, 1,1-diMethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-broMo-6-Methyl-, 1,1-diMethylethyl ester
- 2-Methyl-2-propanyl 5-bromo-6-methyl-1H-pyrrolo[2,3-b]pyridine-1- carboxylate
- 958358-01-5
- SCHEMBL4298700
-
- Inchi： 1S/C13H15BrN2O2/c1-8-10(14)7-9-5-6-16(11(9)15-8)12(17)18-13(2,3)4/h5-7H,1-4H3
- InChI Key： AFXGAYXSKDUYER-UHFFFAOYSA-N
- SMILES： BrC1=C(C)N=C2C(=C1)C=CN2C(=O)OC(C)(C)C
Computed Properties
- Exact Mass: 310.03169g/mol
- Monoisotopic Mass: 310.03169g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 329
- 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: 3.6
- Topological Polar Surface Area: 44.1?2
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-broMo-6-Methyl-, 1,1-diMethylethyl ester Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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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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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
958358-01-5 (1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-broMo-6-Methyl-, 1,1-diMethylethyl ester) Related Products
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