Methyl 6-aminonicotinate

C₇H₈N₂O₂CAS 36052-24-1152.15 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

Warning

H315 Causes skin irritation94.2% of notifiers
H319 Causes serious eye irritation94.2% of notifiers
H335 May cause respiratory irritation92.3% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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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