Methyl 4-chloro-2-pyridinecarboxylate hydrochloride

C₇H₇Cl₂NO₂CAS 176977-85-8208.04 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₇Cl₂NO₂
Molar mass: 208.04 g/mol
Exact mass: 206.9854 Da
logP: 1.94Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

176977-85-8

SMILES

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

InChIKey

PAGFSBPYVNFHAS-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with Methyl 4-chloro-2-pyridinecarboxylate hydrochloride

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-chloropicolinate24484-93-3Free base

Similar compounds

2,6-Dimethyl 4-chloropyridine-2,6-dicarboxylate5371-70-059 % similar 2-Pyridinecarboxamide, 4-chloro-N-methyl-, hydrochloride (1:1)882167-77-359 % similar Methyl 4-bromopicolinate29681-42-357 % similar Methyl 4-methoxypicolinate29681-43-457 % similar Methyl 4-aminopyridine-2-carboxylate71469-93-757 % similar Methyl 2-chloropyrimidine-4-carboxylate149849-94-555 % similar 4-Chloro-N-methylpicolinamide220000-87-354 % similar Methyl picolinate2459-07-651 % similar

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

Elsewhere

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