Cas no 916172-39-9 (1H-Pyrrolo[2,3-b]pyridine, 4-(2-chloro-4-pyridinyl)-)
![1H-Pyrrolo[2,3-b]pyridine, 4-(2-chloro-4-pyridinyl)- structure](https://ossimg.kuujia.com/scimg/916500/916172-39-9x500.png)
916172-39-9 structure
Product Name:1H-Pyrrolo[2,3-b]pyridine, 4-(2-chloro-4-pyridinyl)-
CAS No:916172-39-9
MF:C12H8ClN3
MW:229.665020942688
CID:1970298
PubChem ID:11999500
Update Time:2025-04-21
1H-Pyrrolo[2,3-b]pyridine, 4-(2-chloro-4-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[2,3-b]pyridine, 4-(2-chloro-4-pyridinyl)-
- 4-(2-chloro-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
- DB-304932
- 916172-39-9
- SCHEMBL1719335
-
- Inchi： 1S/C12H8ClN3/c13-11-7-8(1-4-14-11)9-2-5-15-12-10(9)3-6-16-12/h1-7H,(H,15,16)
- InChI Key： VHCADWPCAZCNJX-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CN=1)C1C=CN=C2C=1C=CN2
Computed Properties
- Exact Mass: 229.0406750Da
- Monoisotopic Mass: 229.0406750Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 248
- 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: 2.8
- Topological Polar Surface Area: 41.6?2
1H-Pyrrolo[2,3-b]pyridine, 4-(2-chloro-4-pyridinyl)- Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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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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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
916172-39-9 (1H-Pyrrolo[2,3-b]pyridine, 4-(2-chloro-4-pyridinyl)-) Related Products
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