Cas no 219623-05-9 (3-Ethynylpicolinic acid)
3-Ethynylpicolinic acid structure
Product Name:3-Ethynylpicolinic acid
CAS No:219623-05-9
MF:C8H5NO2
MW:147.130801916122
CID:243670
PubChem ID:15383853
Update Time:2025-04-19
3-Ethynylpicolinic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Ethynylpicolinic acid
- 2-Pyridinecarboxylicacid, 3-ethynyl-
- 3-ethynylpyridine-2-carboxylic acid
- 2-Pyridinecarboxylic acid, 3-ethynyl- (9CI)
- AG-E-60223
- AGN-PC-00P2N8
- CTK1A0147
- F-5117
- 219623-05-9
- AKOS006240033
- SCHEMBL21230286
- DTXSID10572243
-
- Inchi： 1S/C8H5NO2/c1-2-6-4-3-5-9-7(6)8(10)11/h1,3-5H,(H,10,11)
- InChI Key： JPABZBDDPFNSRS-UHFFFAOYSA-N
- SMILES： OC(C1C(C#C)=CC=CN=1)=O
Computed Properties
- Exact Mass: 147.03205
- Monoisotopic Mass: 147.032028402g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 203
- 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
- Topological Polar Surface Area: 50.2?2
Experimental Properties
- PSA: 50.19
3-Ethynylpicolinic acid Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
219623-05-9 (3-Ethynylpicolinic acid) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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