3-Amino-isonicotinic acid methyl ester

C₇H₈N₂O₂CAS 55279-30-6152.15 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₇H₈N₂O₂
Molar mass: 152.15 g/mol
Exact mass: 152.0586 Da
logP: 0.45Crippen estimate
Polar surface area: 65.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

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

55279-30-6

SMILES

COC(=O)C1=C(C=NC=C1)N

InChIKey

XLQIGLBALJNHKR-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,8H2,1H3

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Names and synonyms

1 names

Methyl 3-aminopyridine-4-carboxylate

Work with 3-Amino-isonicotinic acid methyl ester

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 3-aminoisonicotinate14208-83-466 % similar 3-Iodoisonicotinic acid methyl ester188677-49-862 % similar Methyl 3-bromoisonicotinate59786-31-162 % similar Methyl anthranilate134-20-360 % similar Dimethyl 3-aminoterephthalate5372-81-657 % similar 3-Aminoisonicotinic acid7579-20-654 % similar Methyl 2-amino-4-bromobenzoate135484-83-254 % similar Methyl 2-amino-4-fluorobenzoate2475-81-254 % similar

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

Same formula

N-Methyl-4-nitroaniline100-15-2 4-Methyl-3-nitroaniline119-32-4 Methyl 2-aminopyridine-3-carboxylate14667-47-1 2,6-Dimethyl-3-nitropyridine15513-52-7 4,6-Dimethyl-5-pyrimidinecarboxylic acid157335-93-8 Methyl 4-aminopyridine-3-carboxylate16135-36-7 6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-4 1-Methyl-2-(2-nitroethenyl)-pyrrole3156-50-1

Elsewhere

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