2-Chloro-5-nitro-N-4-pyridinylbenzamide

C₁₂H₈ClN₃O₃CAS 313516-66-4277.66 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₁₂H₈ClN₃O₃
Molar mass: 277.66 g/mol
Exact mass: 277.0254 Da
logP: 2.32Crippen estimate
Polar surface area: 88.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

313516-66-4

SMILES

O=C(N=c1cc[nH]cc1)c1cc([N+](=O)[O-])ccc1Cl

InChIKey

FRPJSHKMZHWJBE-UHFFFAOYSA-N

InChI

InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)

Weigh it out

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

Names and synonyms

2 names

Benzamide, 2-chloro-5-nitro-N-4-pyridinyl-
T 0070907

Work with 2-Chloro-5-nitro-N-4-pyridinylbenzamide

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

2-Chloro-5-nitrobenzoyl chloride25784-91-257 % similar 2-Chloro-5-nitrobenzamide16588-15-155 % similar 2′-Chloro-5′-nitroacetophenone23082-50-055 % similar 2-Chloro-5-nitrobenzoic acid2516-96-355 % similar 2-Chloro-5-nitrobenzophenone34052-37-455 % similar Methyl 2-chloro-5-nitrobenzoate6307-82-052 % similar Ethyl 2-chloro-5-nitrobenzoate16588-17-349 % similar 2-Chloro-5-nitrobenzanilide22978-25-249 % similar

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

Elsewhere

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