Cas no 220882-43-9 (6-ethynyl-3-Pyridinecarboxylic acid ethyl ester)
220882-43-9 structure
Product Name:6-ethynyl-3-Pyridinecarboxylic acid ethyl ester
CAS No:220882-43-9
MF:C10H9NO2
MW:175.183962583542
CID:1109248
PubChem ID:11995670
Update Time:2025-04-20
6-ethynyl-3-Pyridinecarboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 6-ethynyl-3-Pyridinecarboxylic acid ethyl ester
- ethyl 6-(1-ethynyl)nicotinate
- SCHEMBL3832581
- 220882-43-9
- DB-370476
-
- Inchi： 1S/C10H9NO2/c1-3-9-6-5-8(7-11-9)10(12)13-4-2/h1,5-7H,4H2,2H3
- InChI Key： OYFSSBJCRDCFPA-UHFFFAOYSA-N
- SMILES： O(C(C1C=NC(C#C)=CC=1)=O)CC
Computed Properties
- Exact Mass: 175.063328530g/mol
- Monoisotopic Mass: 175.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 228
- 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: 1.4
- Topological Polar Surface Area: 39.2?2
6-ethynyl-3-Pyridinecarboxylic acid ethyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
220882-43-9 (6-ethynyl-3-Pyridinecarboxylic acid ethyl ester) Related Products
- 21684-59-3(ethyl 6-methylpyridine-3-carboxylate)
- 216444-00-7(methyl 6-ethynylpyridine-3-carboxylate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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