chempirical

Methyl 6-aminonicotinate

C7H8N2O2CAS 36052-24-1152.15 g/mol

Open in Covalent MOL file
OONNH2
EsterPrimary 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 Ų
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
36052-24-1
SMILES
COC(=O)C1=CN=C(C=C1)N
InChIKey
JACPDLJUQLKABC-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3,(H2,8,9)

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Work with Methyl 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

Ethyl 6-aminonicotinate39658-41-865 % similar Dimethyl pyridine-2,5-dicarboxylate881-86-765 % similar Methyl 6-methylnicotinate5470-70-263 % similar 6-Fluoronicotinic acid methyl ester1427-06-161 % similar Methyl 6-bromopyridine-3-carboxylate26218-78-061 % similar Methyl 6-methoxynicotinate26218-80-461 % similar Methyl 6-chloropyridine-3-carboxylate73781-91-661 % similar Methyl 2-aminopyridine-4-carboxylate6937-03-759 % 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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