Cas no 916172-46-8 (Benzoic acid, 3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-, ethyl ester)
![Benzoic acid, 3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-, ethyl ester structure](https://ossimg.kuujia.com/scimg/916500/916172-46-8x500.png)
916172-46-8 structure
Product Name:Benzoic acid, 3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-, ethyl ester
CAS No:916172-46-8
MF:C16H14N2O2
MW:266.294563770294
CID:1965046
PubChem ID:11999611
Update Time:2025-04-21
Benzoic acid, 3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-, ethyl ester
- 3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-benzoic acid ethyl ester
- 916172-46-8
- SCHEMBL1717371
- DB-314408
-
- Inchi： 1S/C16H14N2O2/c1-2-20-16(19)12-5-3-4-11(10-12)13-6-8-17-15-14(13)7-9-18-15/h3-10H,2H2,1H3,(H,17,18)
- InChI Key： KOEHWXVSTWMLMK-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC=CC(=C1)C1C=CN=C2C=1C=CN2)=O
Computed Properties
- Exact Mass: 266.105527694Da
- Monoisotopic Mass: 266.105527694Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- 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: 3.2
- Topological Polar Surface Area: 55?2
Benzoic acid, 3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-, ethyl ester Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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