Ethyl 4-chloro-5-methylpyrrolo[2,1-F][1,2,4]triazine-6-carboxylate

C₁₀H₁₀ClN₃O₂CAS 427878-41-9239.66 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₀H₁₀ClN₃O₂
Molar mass: 239.66 g/mol
Exact mass: 239.0462 Da
logP: 1.87Crippen estimate
Polar surface area: 56.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

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

427878-41-9

SMILES

CCOC(=O)C1=CN2C(=C1C)C(=NC=N2)Cl

InChIKey

ZIMADRWWQDVUQL-UHFFFAOYSA-N

InChI

InChI=1S/C10H10ClN3O2/c1-3-16-10(15)7-4-14-8(6(7)2)9(11)12-5-13-14/h4-5H,3H2,1-2H3

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Work with Ethyl 4-chloro-5-methylpyrrolo[2,1-F][1,2,4]triazine-6-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 4-chloro-2-methylpyrimidine-5-carboxylate2134-36-348 % similar Ethyl chloronicotinate1452-94-447 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-847 % similar Ethyl 2-chloro-5-fluoro-3-pyridinecarboxylate139911-30-144 % similar Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate188781-08-043 % similar Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate187725-00-443 % similar 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester5909-24-043 % similar Ethyl 5-chloropyrazolo(1,5-a)pyrimidine-3-carboxylate1224944-77-742 % similar

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

Same formula

4-Amino-2-chloro-6,7-dimethoxyquinazoline23680-84-4

Elsewhere

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