Methyl 6-chloropyridazine-4-carboxylate

C₆H₅ClN₂O₂CAS 1093860-48-0172.57 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

1093860-48-0

SMILES

COC(=O)c1cnnc(Cl)c1

InChIKey

QYQHGLKSLGUINZ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

4-Pyridazinecarboxylic acid, 6-chloro-, methyl ester

Work with Methyl 6-chloropyridazine-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 2,6-dichloroisonicotinate42521-09-565 % similar Methyl 2-chloroisonicotinate58481-11-158 % similar Dimethyl 3,5-pyridinedicarboxylate4591-55-356 % similar 4,6-Dichloropyridazine-3-carboxylic acid methyl ester372118-01-954 % similar Trimethyl 1,3,5-benzenetricarboxylate2672-58-450 % similar Dimethyl isophthalate1459-93-449 % similar Methyl 5-bromo-2-chloro-4-pyridinecarboxylate886365-28-247 % similar m-Chlorobenzoic acid methyl ester2905-65-946 % similar

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

Same formula

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 2-Chloro-4-methyl-3-nitropyridine23056-39-5

Elsewhere

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