Cas no 64172-73-2 (3-Pyridinecarbonylchloride, 4,5-dimethyl-)
64172-73-2 structure
Product Name:3-Pyridinecarbonylchloride, 4,5-dimethyl-
CAS No:64172-73-2
MF:C8H8ClNO
MW:169.608221054077
CID:500029
PubChem ID:45081411
Update Time:2025-04-19
3-Pyridinecarbonylchloride, 4,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonylchloride, 4,5-dimethyl-
- 4,5-Dimethylnicotinoylchloride
- 3-Pyridinecarbonyl chloride, 4,5-dimethyl- (9CI)
- 4,5-dimethylpyridine-3-carbonyl chloride
- 64172-73-2
- DTXSID80664583
- SCHEMBL11682171
-
- Inchi： 1S/C8H8ClNO/c1-5-3-10-4-7(6(5)2)8(9)11/h3-4H,1-2H3
- InChI Key： TWUARRZDMRKXDY-UHFFFAOYSA-N
- SMILES： ClC(C1=CN=CC(C)=C1C)=O
Computed Properties
- Exact Mass: 169.02954
- Monoisotopic Mass: 169.029
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 160
- 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
- Topological Polar Surface Area: 30A^2
- XLogP3: 2.1
Experimental Properties
- PSA: 29.96
3-Pyridinecarbonylchloride, 4,5-dimethyl- Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
64172-73-2 (3-Pyridinecarbonylchloride, 4,5-dimethyl-) Related Products
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