Methyl 4-chloropicolinate

C₇H₆ClNO₂CAS 24484-93-3171.58 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₆ClNO₂
Molar mass: 171.58 g/mol
Exact mass: 171.0087 Da
logP: 1.52Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation93.9% of notifiers

Aggregated from 33 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

24484-93-3

SMILES

COC(=O)C1=NC=CC(=C1)Cl

InChIKey

VTENWIPSWAMPKI-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO2/c1-11-7(10)6-4-5(8)2-3-9-6/h2-4H,1H3

Weigh it out

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

Work with Methyl 4-chloropicolinate

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.

Methyl 4-chloro-2-pyridinecarboxylate hydrochloride176977-85-8Salt

Similar compounds

2,6-Dimethyl 4-chloropyridine-2,6-dicarboxylate5371-70-065 % similar Methyl 4-bromopicolinate29681-42-362 % similar Methyl 4-methoxypicolinate29681-43-462 % similar Methyl 4-aminopyridine-2-carboxylate71469-93-762 % similar Methyl 2-chloropyrimidine-4-carboxylate149849-94-559 % similar Methyl picolinate2459-07-656 % similar Methyl 6-chloropyrimidine-4-carboxylate6627-22-155 % similar m-Chlorobenzoic acid methyl ester2905-65-954 % similar

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

Same formula

4-Nitrobenzyl chloride100-14-1 2-Chloro-4-nitrotoluene121-86-8 1-Chloro-2-methyl-4-nitrobenzene13290-74-9 2-Amino-6-chlorobenzoic acid2148-56-3 3-Amino-5-chlorobenzoic acid21961-30-8 4-Amino-2-chlorobenzoic acid2457-76-3 4-Amino-3-chlorobenzoic acid2486-71-7 2-Chloro-6-methylpyridine-4-carboxylic acid25462-85-5

Elsewhere

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