Cas no 920966-39-8 (1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-, phenylmethylester)
![1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-, phenylmethylester structure](https://ossimg.kuujia.com/scimg/921000/920966-39-8x500.png)
920966-39-8 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-, phenylmethylester
CAS No:920966-39-8
MF:C15H11ClN2O2
MW:286.713042497635
CID:754958
PubChem ID:57928592
Update Time:2025-04-19
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-, phenylmethylester Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-, phenylmethylester
- Benzyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
- SCHEMBL1154134
- 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid,4-chloro-,phenylmethyl ester
- FVVQJXYNITYSGZ-UHFFFAOYSA-N
- 920966-39-8
- 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-, phenylmethyl ester
-
- Inchi： 1S/C15H11ClN2O2/c16-13-11-6-7-17-14(11)18-8-12(13)15(19)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)
- InChI Key： FVVQJXYNITYSGZ-UHFFFAOYSA-N
- SMILES： ClC1C(C(=O)OCC2C=CC=CC=2)=CN=C2C=1C=CN2
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: 4
- Complexity: 347
- 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: 3.3
- Topological Polar Surface Area: 55?2
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-chloro-, phenylmethylester Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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