2-Chloro-3-nitropyridine

C₅H₃ClN₂O₂CAS 5470-18-8158.54 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
Melting point: 108–109 °C
logP: 1.64Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed83.7% of notifiers
H302 Harmful if swallowed12.2% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 49 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5470-18-8

SMILES

O=[N+]([O-])c1cccnc1Cl

InChIKey

UUOLETYDNTVQDY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Pyridine, 2-chloro-3-nitro-
3-Nitro-2-chloropyridine
NSC 26279

Work with 2-Chloro-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Chloro-3-nitropyridine34515-82-7

Similar compounds

8-Nitroquinoline607-35-262 % similar 5-Nitroquinoline607-34-160 % similar 2-Fluoro-3-nitropyridine1480-87-159 % similar 2-Methyl-3-nitropyridine18699-87-159 % similar 2-Bromo-3-nitropyridine19755-53-459 % similar 3-Nitro-2(1H)-pyridinethione38240-29-859 % similar 2-Amino-3-nitropyridine4214-75-959 % similar 3-Chloro-2-nitropyridine54231-32-259 % 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 5-Chloro-2-pyrazinecarboxylic acid36070-80-1 6-Chloro-4-pyrimidinecarboxylic acid37131-91-2

Elsewhere

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