Cas no 898227-78-6 (3-Pyridinecarboxylic acid, 6-chloro-5-cyano-2-methyl-)
898227-78-6 structure
Product Name:3-Pyridinecarboxylic acid, 6-chloro-5-cyano-2-methyl-
CAS No:898227-78-6
MF:C8H5ClN2O2
MW:196.590500593185
CID:587991
PubChem ID:71407664
Update Time:2025-04-19
3-Pyridinecarboxylic acid, 6-chloro-5-cyano-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylic acid, 6-chloro-5-cyano-2-methyl-
- 6-chloro-5-cyano-2-methylnicotinic acid
- 6-chloro-5-cyano-2-methylpyridine-3-carboxylic acid
- 6-Chloro-5-cyano-2-methylnicotinicacid
- 898227-78-6
- QSKFTQUGSUMVFH-UHFFFAOYSA-N
- DTXSID80828183
- CS-0372997
- SCHEMBL4098277
-
- Inchi： 1S/C8H5ClN2O2/c1-4-6(8(12)13)2-5(3-10)7(9)11-4/h2H,1H3,(H,12,13)
- InChI Key： QSKFTQUGSUMVFH-UHFFFAOYSA-N
- SMILES： ClC1=C(C#N)C=C(C(=O)O)C(C)=N1
Computed Properties
- Exact Mass: 196.0039551g/mol
- Monoisotopic Mass: 196.0039551g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 260
- 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: 1.5
- Topological Polar Surface Area: 74?2
3-Pyridinecarboxylic acid, 6-chloro-5-cyano-2-methyl- Related Literature
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1. 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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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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