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

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

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 1H-Pyrrolo[2,3-B]pyridine-5-carboxylic acid methyl ester849067-96-554 % similar Methyl 2,4-difluorobenzoate106614-28-251 % similar 6-Fluoro-1H-indole-4-carboxylic acid methyl ester1082040-43-448 % similar Methyl 2-amino-4-fluorobenzoate2475-81-247 % similar 5-Methoxy-1H-pyrrolo[2,3-B]pyridine183208-36-847 % similar Methyl 4-fluorosalicylate392-04-146 % similar Methyl 2-chloro-4-fluorobenzoate85953-29-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook