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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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

Weigh it out

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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

3-Amino-isonicotinic acid methyl ester55279-30-666 % similar Ethyl 3-bromopyridine-4-carboxylate13959-01-865 % similar Ethyl 2-aminobenzoate87-25-263 % similar Ethyl isonicotinate1570-45-255 % similar Methyl 4-aminopyridine-3-carboxylate16135-36-754 % similar Ethyl nicotinate614-18-654 % similar 3-Aminopyridine-2-carboxylic acid ethyl ester27507-15-953 % similar Ethyl 2-amino-5-iodobenzoate268568-11-252 % 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 Beta-(2-pyridyl)-dl-alanine17407-39-5 3-Amino-4-methoxybenzamide17481-27-5 Methyl 2-(6-aminopyridin-3-yl)acetate174891-02-2

Elsewhere

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