Cas no 25462-96-8 (2-broMo-6-MethylisonicotinaMide)
25462-96-8 structure
Product Name:2-broMo-6-MethylisonicotinaMide
CAS No:25462-96-8
MF:C7H7BrN2O
MW:215.047280550003
CID:2098614
Update Time:2023-11-19
2-broMo-6-MethylisonicotinaMide Chemical and Physical Properties
Names and Identifiers
-
- 2-broMo-6-MethylisonicotinaMide
- 4-Pyridinecarboxamide, 2-bromo-6-methyl-
- CID 87482032
- 2-Bromo-6-methyl-4-pyridinecarboxamide
-
- Inchi： 1S/C7H7BrN2O/c1-4-2-5(7(9)11)3-6(8)10-4/h2-3H,1H3,(H2,9,11)
- InChI Key： MDCCEYTWPBXWSF-UHFFFAOYSA-N
- SMILES： BrC1=CC(C(N)=O)=CC(C)=N1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 163
- Topological Polar Surface Area: 56
Experimental Properties
- Density: 1.607±0.06 g/cm3(Predicted)
- Boiling Point: 289.6±40.0 °C(Predicted)
- pka: 14.45±0.50(Predicted)
2-broMo-6-MethylisonicotinaMide Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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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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