3-Chloro-2-nitropyridine

C₅H₃ClN₂O₂CAS 54231-32-2158.54 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₃ClN₂O₂
Molar mass: 158.54 g/mol
Exact mass: 157.9883 Da
logP: 1.64Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed16.7% of notifiers
H302 Harmful if swallowed83.3% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H318 Causes serious eye damage16.7% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

54231-32-2

SMILES

C1=CC(=C(N=C1)[N+](=O)[O-])Cl

InChIKey

PSGASDJUCYTRAD-UHFFFAOYSA-N

InChI

InChI=1S/C5H3ClN2O2/c6-4-2-1-3-7-5(4)8(9)10/h1-3H

Weigh it out

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

Work with 3-Chloro-2-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-Bromo-2-nitropyridine54231-33-361 % similar 2-Nitro-3-pyridinamine13269-19-759 % similar 3-Hydroxy-2-nitropyridine15128-08-259 % similar 3-Hydroxy-2-nitropyridine15128-82-259 % similar 3-Methyl-2-nitropyridine18368-73-559 % similar 3-Fluoro-2-nitropyridine54231-35-559 % similar 2-Chloro-3-nitropyridine5470-18-859 % similar 3,5-Dichloro-2-nitropyridine610278-88-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-3-nitropyridine13091-23-1 2-Chloropyrimidine-4-carboxylic acid149849-92-3 2-Chloro-4-nitropyridine23056-36-2 6-Chloropyrazine-2-carboxylic acid23688-89-3 3-Chloro-2-pyrazine-carboxylic acid27398-39-6 2-Chloro-3-nitropyridine34515-82-7 5-Chloro-2-pyrazinecarboxylic acid36070-80-1 6-Chloro-4-pyrimidinecarboxylic acid37131-91-2

Elsewhere

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