2-Pyridinecarboxylic acid, 5-methoxy-6-nitro-, methyl ester


Chemical Name: 2-Pyridinecarboxylic acid, 5-methoxy-6-nitro-, methyl ester
CAS Number: 390816-44-1
Product Number: AG00CIST(AGN-PC-042548)
Synonyms:
MDL No:
Molecular Formula: C8H8N2O5
Molecular Weight: 212.1595

Identification/Properties


Computed Properties
Molecular Weight:
212.161g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
212.043g/mol
Monoisotopic Mass:
212.043g/mol
Topological Polar Surface Area:
94.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
252
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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