4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid methyl ester

C₆H₇IN₂O₂CAS 75092-26-1266.04 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₇IN₂O₂
Molar mass: 266.04 g/mol
Exact mass: 265.9552 Da
logP: 0.81Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 0 / 3
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

75092-26-1

SMILES

CN1C(=C(C=N1)I)C(=O)OC

InChIKey

OTYGSOJERQNQFY-UHFFFAOYSA-N

InChI

InChI=1S/C6H7IN2O2/c1-9-5(6(10)11-2)4(7)3-8-9/h3H,1-2H3

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Names and synonyms

1 names

Methyl 4-iodo-1-methyl-1H-pyrazole-5-carboxylate

Work with 4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid methyl ester

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

4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid75092-30-758 % similar 3-Iodoisonicotinic acid methyl ester188677-49-845 % similar Methyl 2-iodobenzoate610-97-943 % similar 3-Bromo-4-iodobenzoic acid methyl ester249647-24-342 % similar Methyl 1-methyl-1H-imidazole-5-carboxylate17289-20-240 % similar Methyl 1-methyl-1H-pyrazole-3-carboxylate17827-61-140 % similar Methyl 4-iodo-3-methylbenzoate5471-81-840 % similar Methyl 3-iodo-4-methylbenzoate90347-66-340 % similar

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

Same formula

5-Iodo-2,4-dimethoxypyrimidine52522-99-3

Elsewhere

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