Cas no 87647-00-5 (4-Pyridinecarbonyl chloride, 2,6-dimethyl- (9CI))
87647-00-5 structure
Product Name:4-Pyridinecarbonyl chloride, 2,6-dimethyl- (9CI)
CAS No:87647-00-5
MF:C8H8ClNO
MW:169.608221054077
CID:840151
PubChem ID:15541190
Update Time:2025-04-19
4-Pyridinecarbonyl chloride, 2,6-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinecarbonyl chloride, 2,6-dimethyl- (9CI)
- 2,6-dimethylisonicotinoyl chloride
- 2,6-dimethylpyridine-4-carbonyl chloride
- DTXSID10573871
- 87647-00-5
- SCHEMBL668922
- 2,6-Dimethylisonicotinoylchloride
-
- Inchi： 1S/C8H8ClNO/c1-5-3-7(8(9)11)4-6(2)10-5/h3-4H,1-2H3
- InChI Key： VSBMKTNUCQTMQC-UHFFFAOYSA-N
- SMILES： ClC(C1C=C(C)N=C(C)C=1)=O
Computed Properties
- Exact Mass: 169.0294416g/mol
- Monoisotopic Mass: 169.0294416g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 150
- 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: 2.2
- Topological Polar Surface Area: 30?2
4-Pyridinecarbonyl chloride, 2,6-dimethyl- (9CI) Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
87647-00-5 (4-Pyridinecarbonyl chloride, 2,6-dimethyl- (9CI)) Related Products
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