Cas no 54127-62-7 (3-Pyridinecarboxamide, 5,6-dichloro-N-methyl-)
54127-62-7 structure
Product Name:3-Pyridinecarboxamide, 5,6-dichloro-N-methyl-
CAS No:54127-62-7
MF:C7H6Cl2N2O
MW:205.04133939743
CID:355407
PubChem ID:20483408
Update Time:2025-04-19
3-Pyridinecarboxamide, 5,6-dichloro-N-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxamide, 5,6-dichloro-N-methyl-
- 5,6-dichloro-N-methylpyridine-3-carboxamide
- QOCRLBXEJHKBHV-UHFFFAOYSA-N
- AKOS000158052
- 2,3-Dichloro-5-methylaminocarbonyl-pyridine
- DTXSID30607844
- SCHEMBL11148885
- 54127-62-7
-
- Inchi： 1S/C7H6Cl2N2O/c1-10-7(12)4-2-5(8)6(9)11-3-4/h2-3H,1H3,(H,10,12)
- InChI Key： QOCRLBXEJHKBHV-UHFFFAOYSA-N
- SMILES： ClC1=C(N=CC(C(NC)=O)=C1)Cl
Computed Properties
- Exact Mass: 203.98588
- Monoisotopic Mass: 203.9857182g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 177
- 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: 1.8
- Topological Polar Surface Area: 42?2
Experimental Properties
- PSA: 41.99
3-Pyridinecarboxamide, 5,6-dichloro-N-methyl- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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5. 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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