chempirical

Ethyl 6-aminonicotinate

C8H10N2O2CAS 39658-41-8166.18 g/mol

Open in Covalent MOL file
OONNH2
EsterPrimary amine

Properties

Molecular formula
C8H10N2O2
Molar mass
166.18 g/mol
Exact mass
166.0742 Da
logP
0.84Crippen estimate
Polar surface area
65.2 Ų
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
39658-41-8
SMILES
CCOC(=O)C1=CN=C(C=C1)N
InChIKey
FIKVWPJKNMTBBD-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3,(H2,9,10)

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Work with Ethyl 6-aminonicotinate

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

5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-569 % similar 2,5-Pyridinedicarboxylic acid diethyl ester5552-44-368 % similar Ethyl 6-methylnicotinate21684-59-366 % similar Methyl 6-aminonicotinate36052-24-165 % similar Ethyl 6-chloronicotinate49608-01-764 % similar 5-Aminopyrazine-2-carboxylic acid ethyl ester54013-06-862 % similar Diethyl terephthalate636-09-961 % similar Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-060 % 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

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