2-Chloro-5-methyl-3-nitropyridine

C₆H₅ClN₂O₂CAS 23056-40-8172.57 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₅ClN₂O₂
Molar mass: 172.57 g/mol
Exact mass: 172.0040 Da
Melting point: 50–51 °C
logP: 1.95Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed85.7% of notifiers
H302 Harmful if swallowed12.2% of notifiers
H312 Harmful in contact with skin12.2% of notifiers
H315 Causes skin irritation98% of notifiers
H318 Causes serious eye damage83.7% of notifiers
H319 Causes serious eye irritation14.3% of notifiers
H332 Harmful if inhaled12.2% of notifiers
H335 May cause respiratory irritation95.9% 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

23056-40-8

SMILES

Cc1cnc(Cl)c([N+](=O)[O-])c1

InChIKey

LUAJUWOJEFFNFE-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClN2O2/c1-4-2-5(9(10)11)6(7)8-3-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

5 names

Pyridine, 2-chloro-5-methyl-3-nitro-
3-Picoline, 6-chloro-5-nitro-
5-Methyl-2-chloro-3-nitropyridine
5-Methyl-3-nitro-2-chloropyridine
2-Chloro-3-nitro-5-methylpyridine

Work with 2-Chloro-5-methyl-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

2,5-Dichloro-3-nitropyridine21427-62-366 % similar 2-Chloro-3,5-dinitropyridine2578-45-266 % similar 2-Chloro-5-fluoro-3-nitropyridine136888-21-664 % similar 2-Chloro-5-iodo-3-nitropyridine426463-05-062 % similar 5-Bromo-2-chloro-3-nitropyridine67443-38-362 % similar 2-Amino-3-nitro-5-picoline7598-26-762 % similar 2-Chloro-3-nitro-5-(trifluoromethyl)pyridine72587-15-657 % similar 2-Chloro-5-methyl-1,3-dinitrobenzene5264-65-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 6-chloropyridazine-4-carboxylate1093860-48-0 5-Chloro-2-methyl-3-nitropyridine1211533-93-5 2-Chloro-4-nitroaniline121-87-9 Methyl 2-chloropyrimidine-4-carboxylate149849-94-5 5-Chloro-2-nitroaniline1635-61-6 2-Chloro-3-methyl-5-nitropyridine22280-56-4 6-Chloro-2-methyl-3-nitropyridine22280-60-0 2-Chloro-4-methyl-5-nitropyridine23056-33-9

Elsewhere

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