chempirical

Methyl 4-amino-5-nitro-2-pyridinecarboxylate

C7H7N3O4CAS 850544-21-7197.15 g/mol

Open in Covalent MOL file
OONH2N+OO−N
EsterNitroPrimary amine

Properties

Molecular formula
C7H7N3O4
Molar mass
197.15 g/mol
Exact mass
197.0437 Da
Melting point
223–225 °C
logP
0.36Crippen estimate
Polar surface area
108.3 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
2

Identifiers

CAS number
850544-21-7
SMILES
COC(=O)c1cc(N)c([N+](=O)[O-])cn1
InChIKey
UNPOGSAFUSHRDJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3O4/c1-14-7(11)5-2-4(8)6(3-9-5)10(12)13/h2-3H,1H3,(H2,8,9)

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Names and synonyms

3 names
  • 2-Pyridinecarboxylic acid, 4-amino-5-nitro-, methyl ester
  • 4-Amino-5-nitropyridine-2-carboxylic acid methyl ester
  • 4-Amino-5-nitropicolinic acid methyl ester

Work with Methyl 4-amino-5-nitro-2-pyridinecarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 4-amino-3-nitrobenzoate3987-92-657 % similar Methyl 6-chloro-5-nitro-3-pyridinecarboxylate59237-53-552 % similar Methyl 3,4-dimethoxy-6-nitrobenzoate26791-93-550 % similar Methyl 3-nitroanthranilate57113-91-449 % similar Methyl 4-amino-2,3-difluoro-5-nitrobenzoate284030-58-648 % similar Methyl 3-fluoro-4-nitrobenzoate185629-31-648 % similar Dimethyl nitroterephthalate5292-45-547 % similar Methyl 2-nitrobenzoate606-27-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Amino-2,6-dinitrotoluene19406-51-0 2-Amino-4,6-dinitrotoluene35572-78-2

Elsewhere

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