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

C15H15FN2O3CAS 1454847-99-4290.29 g/mol

Open in Covalent MOL file
FOOONNH2
Aryl halideEsterEtherPrimary 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 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

Weigh it out

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

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

PubChem CAS Common Chemistry NIST WebBook