Cas no 835893-72-6 (3-Pyridinecarboxylic acid, 2,6-dichloro-4-methyl-5-nitro-)
835893-72-6 structure
Product Name:3-Pyridinecarboxylic acid, 2,6-dichloro-4-methyl-5-nitro-
CAS No:835893-72-6
MF:C7H4Cl2N2O4
MW:251.023659706116
CID:1809489
PubChem ID:71414970
Update Time:2025-04-21
3-Pyridinecarboxylic acid, 2,6-dichloro-4-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylic acid, 2,6-dichloro-4-methyl-5-nitro-
- 2,6-dichloro-4-methyl-5-nitropyridine-3-carboxylic acid
- DTXSID80834401
- 835893-72-6
- 2,6-dichloro-4-methyl-5-nitronicotinic acid
-
- Inchi： 1S/C7H4Cl2N2O4/c1-2-3(7(12)13)5(8)10-6(9)4(2)11(14)15/h1H3,(H,12,13)
- InChI Key： FTTSURAYZAWFII-UHFFFAOYSA-N
- SMILES： ClC1C(C(=O)O)=C(C)C(=C(N=1)Cl)[N+](=O)[O-]
Computed Properties
- Exact Mass: 249.9548120g/mol
- Monoisotopic Mass: 249.9548120g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 283
- 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: 2.5
- Topological Polar Surface Area: 96?2
3-Pyridinecarboxylic acid, 2,6-dichloro-4-methyl-5-nitro- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
835893-72-6 (3-Pyridinecarboxylic acid, 2,6-dichloro-4-methyl-5-nitro-) Related Products
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