Methyl 4-fluoro-2-{1H-pyrrolo[2,3-B]pyridin-5-yloxy}benzoate

C₁₅H₁₁FN₂O₃CAS 1235865-75-4286.26 g/mol

Open in Covalent MOL file

Aryl halide Ester Ether

Properties

Molecular formula: C₁₅H₁₁FN₂O₃
Molar mass: 286.26 g/mol
Exact mass: 286.0754 Da
logP: 3.28Crippen estimate
Polar surface area: 64.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

1235865-75-4

SMILES

COC(=O)C1=C(C=C(C=C1)F)OC2=CN=C3C(=C2)C=CN3

InChIKey

WOXIJNIAUMZYEL-UHFFFAOYSA-N

InChI

InChI=1S/C15H11FN2O3/c1-20-15(19)12-3-2-10(16)7-13(12)21-11-6-9-4-5-17-14(9)18-8-11/h2-8H,1H3,(H,17,18)

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Names and synonyms

1 names

Methyl 4-fluoro-2-(1H-pyrrolo(2,3-b)pyridin-5-yloxy)benzoate

Work with Methyl 4-fluoro-2-{1H-pyrrolo[2,3-B]pyridin-5-yloxy}benzoate

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 4-fluoro-2-methoxybenzoate204707-42-655 % similar Methyl 2,4-difluorobenzoate106614-28-251 % similar 6-Fluoro-1H-indole-4-carboxylic acid methyl ester1082040-43-448 % similar Methyl 4-fluoro-2-hydroxybenzoate392-04-146 % similar 1-Methyl 2-borono-4-fluorobenzoate850568-05-744 % similar Methyl 2-amino-5-fluorobenzoate319-24-443 % similar Methyl 2-bromo-5-fluorobenzoate6942-39-843 % similar Methyl 4-fluoro-2-nitrobenzoate151504-81-343 % similar

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

Elsewhere

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