3-Pyridinecarboxylic acid, 2-amino-5-nitro-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 2-amino-5-nitro-, methyl ester
CAS Number: 88312-64-5
Product Number: AG008A2J(AGN-PC-00KPBT)
Synonyms:
MDL No:
Molecular Formula: C7H7N3O4
Molecular Weight: 197.1482

Identification/Properties


Computed Properties
Molecular Weight:
197.15g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
197.044g/mol
Monoisotopic Mass:
197.044g/mol
Topological Polar Surface Area:
111A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
240
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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