Methyl 6-chloro-5-nitro-3-pyridinecarboxylate

C₇H₅ClN₂O₄CAS 59237-53-5216.58 g/mol

Open in Covalent MOL file

Aryl halide Ester Nitro

Properties

Molecular formula: C₇H₅ClN₂O₄
Molar mass: 216.58 g/mol
Exact mass: 215.9938 Da
Melting point: 76 °C
logP: 1.43Crippen estimate
Polar surface area: 82.3 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

59237-53-5

SMILES

COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1

InChIKey

BRPREIDVQXJOJH-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN2O4/c1-14-7(11)4-2-5(10(12)13)6(8)9-3-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

7 names

3-Pyridinecarboxylic acid, 6-chloro-5-nitro-, methyl ester
Methyl 6-chloro-5-nitronicotinate
Methyl 2-chloro-3-nitropyridine-5-carboxylate
Methyl 6-chloro-5-nitropyridine-3-carboxylate
6-Chloro-5-nitronicotinic acid methyl ester
NSC 405361
6-Chloro-5-nitropyridine-3-carboxylic acid methyl ester

Work with Methyl 6-chloro-5-nitro-3-pyridinecarboxylate

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

Ethyl 6-chloro-5-nitronicotinate171876-22-572 % similar Methyl 4-chloro-3-nitrobenzoate14719-83-662 % similar 2-Chloro-3-nitro-5-pyridinecarboxylic acid7477-10-362 % similar Methyl 5-bromo-6-chloropyridine-3-carboxylate78686-77-861 % similar Methyl 4-chloro-3-methoxy-5-nitrobenzenecarboxylate63603-09-857 % similar Dimethyl nitroterephthalate5292-45-557 % similar Methyl 4-bromo-3-nitrobenzoate2363-16-855 % similar Methyl 3-nitro-4-methylbenzoate7356-11-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-2,4-dinitrotoluene51676-74-5 2-Chloro-5-methyl-1,3-dinitrobenzene5264-65-3 2,4-Dinitrobenzyl chloride610-57-1 3,5-Dinitrobenzyl chloride74367-78-5

Elsewhere

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