Methyl 6-chloropyrimidine-4-carboxylate

C₆H₅ClN₂O₂CAS 6627-22-1172.57 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

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

6627-22-1

SMILES

COC(=O)C1=CC(=NC=N1)Cl

InChIKey

IAEUEOUJKNGPMO-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with Methyl 6-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

Methyl 5-chloropyrazine-2-carboxylate33332-25-158 % similar Methyl 4-chloropicolinate24484-93-355 % similar Methyl 2-chloroisonicotinate58481-11-155 % similar Methyl 6-chloropyridazine-3-carboxylate65202-50-854 % similar Methyl 6-chloropicolinate6636-55-154 % similar Methyl4,6-dichloronicotinate65973-52-654 % similar 6-Chloro-4-pyrimidinecarboxylic acid37131-91-253 % similar Methyl 2,6-dichloroisonicotinate42521-09-553 % 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 Methyl 2-chloropyrimidine-4-carboxylate149849-94-5 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

Elsewhere

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