Cas no 648431-97-4 (Pyridine, 2-(1,3-butadiynyl)-)
Pyridine, 2-(1,3-butadiynyl)- structure
Product Name:Pyridine, 2-(1,3-butadiynyl)-
CAS No:648431-97-4
MF:C9H5N
MW:127.142701864243
CID:414668
PubChem ID:19375429
Update Time:2025-04-19
Pyridine, 2-(1,3-butadiynyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyridine, 2-(1,3-butadiynyl)-
- 2-buta-1,3-diynylpyridine
- Pyridine, 2-(1,3-butadiynyl)- (9CI)
- 2-(BUTA-1,3-DIYN-1-YL)PYRIDINE
- DTXSID30598506
- 648431-97-4
- pyridyl diacetylene
- 2-(buta-1,3-diynyl)-pyridine
-
- Inchi： 1S/C9H5N/c1-2-3-6-9-7-4-5-8-10-9/h1,4-5,7-8H
- InChI Key： XLRRAVSEFREARZ-UHFFFAOYSA-N
- SMILES： N1C=CC=CC=1C#CC#C
Computed Properties
- Exact Mass: 127.042199164g/mol
- Monoisotopic Mass: 127.042199164g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 207
- 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: 1.5
- Topological Polar Surface Area: 12.9?2
Pyridine, 2-(1,3-butadiynyl)- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
648431-97-4 (Pyridine, 2-(1,3-butadiynyl)-) Related Products
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