Methyl 6-chloropyridazine-3-carboxylate

C₆H₅ClN₂O₂CAS 65202-50-8172.57 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

65202-50-8

SMILES

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

InChIKey

FPKXYXKLOWAIOX-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with Methyl 6-chloropyridazine-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

Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-164 % similar Methyl 6-chloropicolinate6636-55-160 % similar Methyl 5-chloropyrazine-2-carboxylate33332-25-156 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-855 % similar Methyl 6-chloropyrazine-2-carboxylate23611-75-854 % similar Methyl 6-chloropyrimidine-4-carboxylate6627-22-154 % similar Methyl 6-chloropyridine-3-carboxylate73781-91-654 % similar Methyl pyridazine-3-carboxylate34253-02-653 % 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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