Cas no 1122090-38-3 (potassium 5-bromo-4-methylpyridine-2-carboxylate)
1122090-38-3 structure
Product Name:potassium 5-bromo-4-methylpyridine-2-carboxylate
CAS No:1122090-38-3
MF:C7H5BrKNO2
MW:254.122401952744
CID:2154652
PubChem ID:70979628
Update Time:2025-04-21
potassium 5-bromo-4-methylpyridine-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- potassium 5-bromo-4-methylpyridine-2-carboxylate
- potassium 5-bromo-4-methylpyridine-2-carboxylic acid
- .5-bromo-4-methylpyridine-2-carboxylic acid potassium salt
- .potassium 5-bromo-4-methylpyridine-2-carboxylate
- 5-bromo-4-methyl-pyridine-2-carboxylic acid potassium salt
- SCHEMBL13731040
- DB-343991
- 1122090-38-3
-
- Inchi： 1S/C7H6BrNO2.K/c1-4-2-6(7(10)11)9-3-5(4)8;/h2-3H,1H3,(H,10,11);/q;+1/p-1
- InChI Key： WLBTZCGTICEXDJ-UHFFFAOYSA-M
- SMILES： BrC1=CN=C(C(=O)[O-])C=C1C.[K+]
Computed Properties
- Exact Mass: 252.91400
- Monoisotopic Mass: 252.91407Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 167
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 53?2
Experimental Properties
- PSA: 53.02000
- LogP: 0.51600
potassium 5-bromo-4-methylpyridine-2-carboxylate Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
1122090-38-3 (potassium 5-bromo-4-methylpyridine-2-carboxylate) Related Products
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