1-Methyl-3,5-dinitro-1H-pyridin-2-one

C₆H₅N₃O₅CAS 14150-94-8199.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₅N₃O₅
Molar mass: 199.12 g/mol
Exact mass: 199.0229 Da
logP: 0.20Crippen estimate
Polar surface area: 108.3 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

14150-94-8

SMILES

CN1C=C(C=C(C1=O)[N+](=O)[O-])[N+](=O)[O-]

InChIKey

QARVELJVEBLWGK-UHFFFAOYSA-N

InChI

InChI=1S/C6H5N3O5/c1-7-3-4(8(11)12)2-5(6(7)10)9(13)14/h2-3H,1H3

Weigh it out

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

Work with 1-Methyl-3,5-dinitro-1H-pyridin-2-one

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

TNT118-96-747 % similar 1,3,6,8-Tetranitronaphthalene28995-89-344 % similar 2,4-Dinitrotoluene121-14-244 % similar Trinitroanisole606-35-944 % similar Hexanitrodiphenylamine131-73-743 % similar 2,4,6-Trinitroaniline489-98-543 % similar Picryl chloride88-88-043 % similar Picric acid88-89-143 % similar

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

Same formula

O-(2,4-Dinitrophenyl)hydroxylamine17508-17-7 Picramic acid96-91-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook