4-Amino-3-nitropyridine

C5H5N3O2CAS 1681-37-4139.11 g/mol

Open in Covalent MOL file
NHNHN+OO−
Nitro

Properties

Molecular formula
C5H5N3O2
Molar mass
139.11 g/mol
Exact mass
139.0382 Da
Melting point
203 °C
logP
0.40Crippen estimate
Polar surface area
82.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1681-37-4
SMILES
N=c1cc[nH]cc1[N+](=O)[O-]
InChIKey
IUPPEELMBOPLDJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N3O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H,(H2,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 4-Pyridinamine, 3-nitro-
  • Pyridine, 4-amino-3-nitro-
  • 3-Nitro-4-pyridinamine
  • 3-Nitro-4-aminopyridine

Work with 4-Amino-3-nitropyridine

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

3-Nitro-4-pyridinol5435-54-161 % similar 1,2-Dinitrobenzene528-29-042 % similar 3-Methyl-4-pyridinamine1990-90-541 % similar 4-Amino-3-hydroxypyridine52334-53-941 % similar 3,4-Diaminopyridine54-96-641 % similar 3-Iodo-4-pyridinamine88511-27-741 % similar 3-Bromo-5-nitro-4-pyridinol31872-65-841 % similar 6-Methyl-5-nitro-2-pyridinamine22280-62-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Nitro-3-pyridinamine13269-19-7 6-Nitro-2-pyridinamine14916-63-3 4-Aminopyrimidine-5-carboxylic acid20737-41-1 2-Aminopyrimidine-4-carboxylic acid2164-65-0 2-Amino-5-pyrimidinecarboxylic acid3167-50-8 5-Aminopyrazine-2-carboxylic acid40155-43-9 2-Amino-3-nitropyridine4214-75-9 2-Amino-5-nitropyridine4214-76-0

Elsewhere

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