Methyl 4-aminopyridine-3-carboxylate

C₇H₈N₂O₂CAS 16135-36-7152.15 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

Danger

H301 Toxic if swallowed12.5% of notifiers
H302 Harmful if swallowed12.5% of notifiers
H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation87.5% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16135-36-7

SMILES

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

InChIKey

OCARFFAPQGYGBP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with Methyl 4-aminopyridine-3-carboxylate

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 ester55279-30-682 % similar 3-Iodoisonicotinic acid methyl ester188677-49-862 % similar Methyl 3-bromoisonicotinate59786-31-162 % similar Methyl anthranilate134-20-360 % similar Methyl 4-(trifluoromethyl)nicotinate175204-82-757 % similar Methyl 2-amino-5-fluorobenzoate319-24-456 % similar Methyl 5-methylanthranilate18595-16-954 % similar Methyl 2-amino-5-methoxybenzoate2475-80-154 % 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-Dimethylpyrimidine-5-carboxylic acid157335-93-8 6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-4 1-Methyl-2-(2-nitroethenyl)-pyrrole3156-50-1 N-(Hydroxymethyl)nicotinamide3569-99-1

Elsewhere

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