3-Pyridinecarboxylic acid, 6-amino-5-bromo-, ethyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 6-amino-5-bromo-, ethyl ester
CAS Number: 850429-51-5
Product Number: AG004SUT(AGN-PC-0LXOD9)
Synonyms:
MDL No:
Molecular Formula: C8H9BrN2O2
Molecular Weight: 245.0733

Identification/Properties


Properties
MP:
125-127 °C
BP:
335.1°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
245.076g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
243.985g/mol
Monoisotopic Mass:
243.985g/mol
Topological Polar Surface Area:
65.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
189
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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