Methyl 6-chloropyridine-3-carboxylate

C₇H₆ClNO₂CAS 73781-91-6171.58 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

73781-91-6

SMILES

COC(=O)C1=CN=C(C=C1)Cl

InChIKey

RMEDXVIWDFLGES-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

1 names

Methyl 6-chloronicotinate

Work with Methyl 6-chloropyridine-3-carboxylate

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

6-Fluoronicotinic acid methyl ester1427-06-166 % similar Ethyl 6-chloronicotinate49608-01-765 % similar Dimethyl pyridine-2,5-dicarboxylate881-86-765 % similar Methyl 2-chloropyrimidine-5-carboxylate287714-35-664 % similar Methyl 6-methylnicotinate5470-70-263 % similar Methyl 6-bromopyridine-3-carboxylate26218-78-061 % similar Methyl 6-methoxynicotinate26218-80-461 % similar Methyl 6-aminonicotinate36052-24-161 % 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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