Cas no 62774-93-0 (3-Pyridinecarboxylic acid, 2,6-dichloro-4,5-dimethyl-)
62774-93-0 structure
Product Name:3-Pyridinecarboxylic acid, 2,6-dichloro-4,5-dimethyl-
CAS No:62774-93-0
MF:C8H7Cl2NO2
MW:220.052680253983
CID:431665
PubChem ID:71382904
Update Time:2025-04-19
3-Pyridinecarboxylic acid, 2,6-dichloro-4,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylic acid, 2,6-dichloro-4,5-dimethyl-
- 2,6-dichloro-4,5-dimethylpyridine-3-carboxylic acid
- YYXFGSVZBXEZQA-UHFFFAOYSA-N
- SCHEMBL17008019
- 62774-93-0
- 2,6-dichloro-4,5-dimethylnicotinic acid
- DTXSID00805259
-
- Inchi： 1S/C8H7Cl2NO2/c1-3-4(2)6(9)11-7(10)5(3)8(12)13/h1-2H3,(H,12,13)
- InChI Key： YYXFGSVZBXEZQA-UHFFFAOYSA-N
- SMILES： ClC1C(C)=C(C)C(C(=O)O)=C(N=1)Cl
Computed Properties
- Exact Mass: 218.98551
- Monoisotopic Mass: 218.9853839g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 212
- 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: 3
- Topological Polar Surface Area: 50.2?2
Experimental Properties
- PSA: 50.19
3-Pyridinecarboxylic acid, 2,6-dichloro-4,5-dimethyl- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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