Methyl 4-aminopyridine-2-carboxylate

C₇H₈N₂O₂CAS 71469-93-7152.15 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 swallowed20% of notifiers
H302 Harmful if swallowed40% of notifiers
H315 Causes skin irritation60% of notifiers
H319 Causes serious eye irritation60% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 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

71469-93-7

SMILES

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

InChIKey

YHOVYZINCVIRGK-UHFFFAOYSA-N

InChI

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

Methyl 4-chloropicolinate24484-93-362 % similar Methyl 4-bromopicolinate29681-42-362 % similar Methyl 4-methoxypicolinate29681-43-462 % similar Methyl 4-chloro-2-pyridinecarboxylate hydrochloride176977-85-857 % similar Methyl picolinate2459-07-656 % similar 4-Aminopicolinic acid100047-36-754 % similar Methyl 2-aminopyridine-4-carboxylate6937-03-754 % similar Methyl 3-aminobenzoate4518-10-953 % 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 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

PubChem CAS Common Chemistry NIST WebBook