chempirical

Ethyl 3-aminoisonicotinate

C8H10N2O2CAS 14208-83-4166.18 g/mol

Open in Covalent MOL file
OONH2N
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

Identifiers

CAS number
14208-83-4
SMILES
CCOC(=O)C1=C(C=NC=C1)N
InChIKey
BIFLTHWDFNLOTD-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O2/c1-2-12-8(11)6-3-4-10-5-7(6)9/h3-5H,2,9H2,1H3

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

Names and synonyms

1 names
  • 3-Amino-isonicotinic acid ethyl ester

Work with Ethyl 3-aminoisonicotinate

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

Ethyl 2-aminobenzoate87-25-263 % similar Ethyl isonicotinate1570-45-255 % similar Ethyl 2-amino-5-iodobenzoate268568-11-252 % similar Diethyl phthalate84-66-251 % similar 4-Ethoxy-3-pyridinamine1633-43-850 % similar Ethyl 2-amino-1H-pyrrole-3-carboxylate108290-86-449 % similar Ethyl 2-methyl-3-pyridinecarboxylate1721-26-248 % similar Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate16078-71-047 % 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 2,4-Dimethyl-6-nitroaniline1635-84-3 3-Amino-4-methoxybenzamide17481-27-5 2-Ethyl-5-nitrobenzenamine20191-74-6 Hydroxy(phenyl)acetic acid hydrazide2443-66-5

Elsewhere

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