Methyl 2-chloropyrimidine-4-carboxylate

C₆H₅ClN₂O₂CAS 149849-94-5172.57 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₅ClN₂O₂
Molar mass: 172.57 g/mol
Exact mass: 172.0040 Da
logP: 0.92Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Identifiers

CAS number

149849-94-5

SMILES

COC(=O)c1ccnc(Cl)n1

InChIKey

GGTNGWOGJHJQCL-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClN2O2/c1-11-5(10)4-2-3-8-6(7)9-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

2 names

4-Pyrimidinecarboxylic acid, 2-chloro-, methyl ester
2-Chloropyrimidine-4-carboxylic acid methyl ester

Work with Methyl 2-chloropyrimidine-4-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

Dimethyl 2,6-pyridinedicarboxylate5453-67-863 % similar 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-454 % similar Methyl picolinate2459-07-653 % similar Methyl 6-bromo-2-pyridinecarboxylate26218-75-753 % similar 6-Fluoropyridine-2-carboxylic acid methyl ester455-71-053 % similar Methyl 4-methoxypicolinate29681-43-451 % similar Methyl 2-chloroisonicotinate58481-11-151 % similar Methyl 6-(hydroxymethyl)picolinate39977-44-149 % similar

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

Same formula

Methyl 6-chloropyridazine-4-carboxylate1093860-48-0 5-Chloro-2-methyl-3-nitropyridine1211533-93-5 2-Chloro-4-nitroaniline121-87-9 5-Chloro-2-nitroaniline1635-61-6 2-Chloro-3-methyl-5-nitropyridine22280-56-4 6-Chloro-2-methyl-3-nitropyridine22280-60-0 2-Chloro-4-methyl-5-nitropyridine23056-33-9 2-Chloro-4-methyl-3-nitropyridine23056-39-5

Elsewhere

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