2-Pyridinecarboxylic acid, 6-amino-5-bromo-, methyl ester


Chemical Name: 2-Pyridinecarboxylic acid, 6-amino-5-bromo-, methyl ester
CAS Number: 178876-82-9
Product Number: AG0026G3(AGN-PC-0N95AP)
Synonyms:
MDL No:
Molecular Formula: C7H7BrN2O2
Molecular Weight: 231.0467

Identification/Properties


Computed Properties
Molecular Weight:
231.049g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
229.969g/mol
Monoisotopic Mass:
229.969g/mol
Topological Polar Surface Area:
65.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
177
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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