Cas no 1128-18-3 (2-Pyridinecarboxylic acid, 4-bromo-6-methyl-, 1-oxide)
1128-18-3 structure
Product Name:2-Pyridinecarboxylic acid, 4-bromo-6-methyl-, 1-oxide
CAS No:1128-18-3
MF:C7H6BrNO3
MW:232.0314412117
CID:1200753
PubChem ID:71355564
Update Time:2025-04-20
2-Pyridinecarboxylic acid, 4-bromo-6-methyl-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxylic acid, 4-bromo-6-methyl-, 1-oxide
- 4-bromo-6-methyl-1-oxidopyridin-1-ium-2-carboxylic acid
- DTXSID30779954
- 1128-18-3
- 4-Bromo-6-methyl-1-oxo-1lambda~5~-pyridine-2-carboxylic acid
- 2-methyl-4-bromo-6-carboxypyridine oxide
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- Inchi： 1S/C7H6BrNO3/c1-4-2-5(8)3-6(7(10)11)9(4)12/h2-3H,1H3,(H,10,11)
- InChI Key： LAUHOLIMDAHXPI-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=O)O)[N+](=C(C)C=1)[O-]
Computed Properties
- Exact Mass: 230.95308
- Monoisotopic Mass: 230.95311g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 188
- 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: 1.4
- Topological Polar Surface Area: 62.8?2
Experimental Properties
- PSA: 64.24
2-Pyridinecarboxylic acid, 4-bromo-6-methyl-, 1-oxide Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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