Cas no 62458-88-2 (3-Pyridinecarboxamide, 4-chloro-N-2-propynyl-)
62458-88-2 structure
Product Name:3-Pyridinecarboxamide, 4-chloro-N-2-propynyl-
CAS No:62458-88-2
MF:C9H7ClN2O
MW:194.61768078804
CID:444032
PubChem ID:71386176
Update Time:2025-04-19
3-Pyridinecarboxamide, 4-chloro-N-2-propynyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxamide, 4-chloro-N-2-propynyl-
- 4-chloro-N-prop-2-ynylpyridine-3-carboxamide
- DTXSID70808373
- 4-Chloro-N-(prop-2-yn-1-yl)pyridine-3-carboxamide
- 62458-88-2
- AKOS019797133
-
- Inchi： 1S/C9H7ClN2O/c1-2-4-12-9(13)7-6-11-5-3-8(7)10/h1,3,5-6H,4H2,(H,12,13)
- InChI Key： BEYOMMABQIHRHK-UHFFFAOYSA-N
- SMILES： ClC1C=CN=CC=1C(NCC#C)=O
Computed Properties
- Exact Mass: 194.02481
- Monoisotopic Mass: 194.0246905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 233
- 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: 0.9
- Topological Polar Surface Area: 42?2
Experimental Properties
- PSA: 41.99
3-Pyridinecarboxamide, 4-chloro-N-2-propynyl- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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3. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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