Cas no 648431-07-6 (1,3,5-Pentanetrione, 1-(4-chloro-2-pyridinyl)-5-(2-pyridinyl)-)
648431-07-6 structure
Product Name:1,3,5-Pentanetrione, 1-(4-chloro-2-pyridinyl)-5-(2-pyridinyl)-
CAS No:648431-07-6
MF:C15H11ClN2O3
MW:302.71244263649
CID:414676
PubChem ID:57564986
Update Time:2025-04-19
1,3,5-Pentanetrione, 1-(4-chloro-2-pyridinyl)-5-(2-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Pentanetrione, 1-(4-chloro-2-pyridinyl)-5-(2-pyridinyl)-
- 1-(4-chloropyridin-2-yl)-5-pyridin-2-ylpentane-1,3,5-trione
- 1-(4Chloro-pyrid-2-yl)-5-pyrid-2-yl-pentane-1,3,5-trione
- 1-(4-Chloropyridin-2-yl)-5-pyridin-2-ylpentan-1,3,5-trione
- 648431-07-6
- SCHEMBL4215189
- DTXSID20727141
- 1-(4-Chloropyridin-2-yl)-5-(pyridin-2-yl)pentane-1,3,5-trione
- 1-(4-Chloro-pyrid-2-yl)-5-pyrid-2-yl-pentane-1,3,5-trione
- XYUWADASSSSEBX-UHFFFAOYSA-N
-
- Inchi： 1S/C15H11ClN2O3/c16-10-4-6-18-13(7-10)15(21)9-11(19)8-14(20)12-3-1-2-5-17-12/h1-7H,8-9H2
- InChI Key： XYUWADASSSSEBX-UHFFFAOYSA-N
- SMILES： ClC1C=CN=C(C=1)C(CC(CC(C1C=CC=CN=1)=O)=O)=O
Computed Properties
- Exact Mass: 302.0458199g/mol
- Monoisotopic Mass: 302.0458199g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 414
- 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: 2.1
- Topological Polar Surface Area: 77?2
1,3,5-Pentanetrione, 1-(4-chloro-2-pyridinyl)-5-(2-pyridinyl)- Related Literature
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1. 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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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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