Ethyl 6-chloropicolinate

C₈H₈ClNO₂CAS 21190-89-6185.61 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₈H₈ClNO₂
Molar mass: 185.61 g/mol
Exact mass: 185.0244 Da
logP: 1.91Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

21190-89-6

SMILES

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

InChIKey

ORSVWYSFUABOQU-UHFFFAOYSA-N

InChI

InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-4-3-5-7(9)10-6/h3-5H,2H2,1H3

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Names and synonyms

1 names

Ethyl 6-chloro-2-pyridinecarboxylate

Work with Ethyl 6-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

Similar compounds

Diethyl 2,6-pyridinedicarboxylate15658-60-378 % similar Ethyl 6-bromopicolinate21190-88-566 % similar 6-Aminopyridine-2-carboxylic acid ethyl ester69142-64-966 % similar Methyl 6-chloropicolinate6636-55-164 % similar Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-163 % similar Ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate64067-99-859 % similar Ethyl 2-pyridinecarboxylate2524-52-958 % similar Ethyl 5-chloropyrazolo(1,5-a)pyrimidine-3-carboxylate1224944-77-756 % similar

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

Same formula

2-(2-Chlorophenyl)glycine141196-64-7 (αS)-α-Amino-2-chlorobenzeneacetic acid141315-50-6 Ethyl chloronicotinate1452-94-4 2-Amino-5-chloro-3-methylbenzoic acid20776-67-4 Methyl 2-Chloro-6-methylisonicotinate3998-90-1 Methyl 3-amino-4-chlorobenzoate40872-87-5 Methyl-5-amino-2-chlorobenzoate42122-75-8 Methyl 4-amino-2-chlorobenzoate46004-37-9

Elsewhere

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