chempirical

Methyl 2-chloronicotinate

C7H6ClNO2CAS 40134-18-7171.58 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
Density
1.325 g/mL (at 20 °C)
Boiling point
87–88 °C (at 3 Torr)
logP
1.52Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
40134-18-7
SMILES
COC(=O)c1cccnc1Cl
InChIKey
MYGAJZBZLONIBZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names
  • 3-Pyridinecarboxylic acid, 2-chloro-, methyl ester
  • Nicotinic acid, 2-chloro-, methyl ester
  • 2-Chloronicotinic acid methyl ester
  • Methyl 2-chloropyridine-3-carboxylate
  • 2-Chloro-3-methoxycarbonylpyridine
  • 2-Chloropyridine-3-carboxylic acid methyl ester

Work with Methyl 2-chloronicotinate

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

2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-966 % similar Methyl 3-chloropyrazine-2-carboxylate27825-21-458 % similar Dimethyl phthalate131-11-356 % similar 2-Chloronicotinoyl chloride49609-84-956 % similar Methyl 2-chlorobenzoate610-96-856 % similar 2-Chloronicotinic acid2942-59-854 % similar Methyl 5-bromo-2-chloronicotinate78686-79-054 % similar Methyl 2,3-dichlorobenzoate2905-54-653 % 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 3-Amino-4-chlorobenzoic acid2840-28-0

Elsewhere

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