Methyl 2-aminopyridine-3-carboxylate

C₇H₈N₂O₂CAS 14667-47-1152.15 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

H302 Harmful if swallowed14.3% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

14667-47-1

SMILES

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

InChIKey

NZZDEODTCXHCRS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Methyl 2-aminonicotinate

Work with Methyl 2-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

Ethyl 2-aminopyridine-3-carboxylate13362-26-066 % similar 2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-966 % similar Methyl 2-methylnicotinate65719-09-764 % similar Methyl 2-chloronicotinate40134-18-762 % similar 2-Fluoronicotinic acid methyl ester446-26-462 % similar Methyl 2-bromopyridine-3-carboxylate52718-95-362 % similar 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-658 % similar 1-(2-Aminopyridin-3-yl)ethan-1-one65326-33-258 % 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 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 N-(Hydroxymethyl)nicotinamide3569-99-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook