Methyl 2-[(1R)-1-[(2-aminopyridin-3-yl)oxy]ethyl]-4-fluorobenzoate

C₁₅H₁₅FN₂O₃CAS 1454847-99-4290.29 g/mol

Open in Covalent MOL file

Aryl halide Ester Ether Primary amine

Properties

Molecular formula: C₁₅H₁₅FN₂O₃
Molar mass: 290.29 g/mol
Exact mass: 290.1067 Da
logP: 2.73Crippen estimate
Polar surface area: 74.4 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

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

1454847-99-4

SMILES

C[C@H](C1=C(C=CC(=C1)F)C(=O)OC)OC2=C(N=CC=C2)N

InChIKey

GMFQSQNAGPWXPZ-SECBINFHSA-N

InChI

InChI=1S/C15H15FN2O3/c1-9(21-13-4-3-7-18-14(13)17)12-8-10(16)5-6-11(12)15(19)20-2/h3-9H,1-2H3,(H2,17,18)/t9-/m1/s1

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Names and synonyms

1 names

Methyl(R)-2-(1-((2-aminopyridin-3-yl)oxy)ethyl)-4-fluorobenzoate

Work with Methyl 2-[(1R)-1-[(2-aminopyridin-3-yl)oxy]ethyl]-4-fluorobenzoate

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-[(1R)-1-[(2-amino-5-bromo-3-pyridinyl)oxy]ethyl]-4-fluorobenzoate1454848-00-072 % similar Methyl 2-aminopyridine-3-carboxylate14667-47-151 % similar Methyl 2-amino-4-fluorobenzoate2475-81-251 % similar (S)-5-Fluoro-3-methylisobenzofuran-1(3H)-one1803573-19-450 % similar Methyl 4-fluoro-2-methoxybenzoate204707-42-647 % similar Methyl 2-amino-5-fluorobenzoate319-24-447 % similar Methyl 2,4-difluorobenzoate106614-28-244 % similar 2-Fluoronicotinic acid methyl ester446-26-443 % similar

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

Elsewhere

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