Cas no 89692-60-4 (2-Chloro-6-methyl-5-nitropyridine-3-carboxylic acid)
89692-60-4 structure
Product Name:2-Chloro-6-methyl-5-nitropyridine-3-carboxylic acid
CAS No:89692-60-4
MF:C7H5ClN2O4
MW:216.578600645065
CID:2811773
PubChem ID:13781515
Update Time:2025-04-21
2-Chloro-6-methyl-5-nitropyridine-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 89692-60-4
- 2-CHLORO-6-METHYL-5-NITRONICOTINIC ACID
- AB66262
- 2-CHLORO-6-METHYL-5-NITROPYRIDINE-3-CARBOXYLIC ACID
- 2-Chloro-6-methyl-5-nitropyridine-3-carboxylic acid
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- Inchi： 1S/C7H5ClN2O4/c1-3-5(10(13)14)2-4(7(11)12)6(8)9-3/h2H,1H3,(H,11,12)
- InChI Key： QHPBKHRZIKVYOV-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)O)C=C(C(C)=N1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 215.9937843Da
- Monoisotopic Mass: 215.9937843Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 255
- 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: 1.6
- Topological Polar Surface Area: 96?2
2-Chloro-6-methyl-5-nitropyridine-3-carboxylic acid Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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