Methyl 2-(6-aminopyridin-3-yl)acetate

C₈H₁₀N₂O₂CAS 174891-02-2166.18 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₈H₁₀N₂O₂
Molar mass: 166.18 g/mol
Exact mass: 166.0742 Da
logP: 0.38Crippen estimate
Polar surface area: 65.2 Å²
H-bond donors / acceptors: 1 / 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

174891-02-2

SMILES

COC(=O)CC1=CN=C(C=C1)N

InChIKey

NCFUUDBLLXKPLZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N2O2/c1-12-8(11)4-6-2-3-7(9)10-5-6/h2-3,5H,4H2,1H3,(H2,9,10)

Weigh it out

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

Work with Methyl 2-(6-aminopyridin-3-yl)acetate

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

p-Tolylacetic acid methyl ester23786-13-253 % similar Methyl 4-pyridineacetate29800-89-353 % similar Methyl 6-aminonicotinate36052-24-153 % similar Methyl phenylacetate101-41-751 % similar Methyl (4-hydroxyphenyl)acetate14199-15-651 % similar Methyl 4-methoxybenzeneacetate23786-14-351 % similar Methyl (4-bromophenyl)acetate41841-16-151 % similar Methyl 4-chlorobenzeneacetate52449-43-151 % similar

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

Same formula

N,N-Dimethyl-4-nitroaniline100-23-2 2,3-Diaminobenzoic acid methyl ester107582-20-7 Ethyl 2-aminopyridine-3-carboxylate13362-26-0 Ethyl 2-aminopyridine-4-carboxylate13362-30-6 Ethyl 3-aminoisonicotinate14208-83-4 2,4-Dimethyl-6-nitroaniline1635-84-3 Beta-(2-pyridyl)-dl-alanine17407-39-5 3-Amino-4-methoxybenzamide17481-27-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook