Methyl 6-chloropicolinate

C7H6ClNO2CAS 6636-55-1171.58 g/mol

Open in Covalent MOL file
OONCl
Aryl halideEster

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6636-55-1
SMILES
COC(=O)C1=NC(=CC=C1)Cl
InChIKey
TWUXBVMXSBEKHA-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 6-Chloro-2-picolinic acid methyl ester

Work with Methyl 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

Dimethyl 2,6-pyridinedicarboxylate5453-67-876 % similar Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate142593-07-569 % similar 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-465 % similar Ethyl 6-chloropicolinate21190-89-664 % similar Methyl 6-chloropyrazine-2-carboxylate23611-75-863 % similar Methyl 6-bromo-2-pyridinecarboxylate26218-75-763 % similar Methyl 6-methoxypyridine-2-carboxylate26256-72-463 % similar 6-Aminopicolinic acid methyl ester36052-26-363 % 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 Methyl 4-chloropicolinate24484-93-3 4-Amino-2-chlorobenzoic acid2457-76-3 4-Amino-3-chlorobenzoic acid2486-71-7

Elsewhere

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