3-Aminopyridine-2-carboxylic acid ethyl ester

C₈H₁₀N₂O₂CAS 27507-15-9166.18 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₈H₁₀N₂O₂
Molar mass: 166.18 g/mol
Exact mass: 166.0742 Da
logP: 0.84Crippen estimate
Polar surface area: 65.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

27507-15-9

SMILES

CCOC(=O)C1=C(C=CC=N1)N

InChIKey

FKDRDUIRSZRBSN-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N2O2/c1-2-12-8(11)7-6(9)4-3-5-10-7/h3-5H,2,9H2,1H3

Weigh it out

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

Names and synonyms

1 names

Ethyl 3-aminopyridine-2-carboxylate

Work with 3-Aminopyridine-2-carboxylic acid ethyl ester

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 3-amino-2-pyridinecarboxylate36052-27-466 % similar Ethyl 2-aminobenzoate87-25-259 % similar Ethyl 2-pyridinecarboxylate2524-52-955 % similar Ethyl 2-methyl-3-pyridinecarboxylate1721-26-255 % similar Ethyl chloronicotinate1452-94-453 % similar Ethyl 2-bromonicotinate53087-78-853 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-351 % similar 3-Amino-pyridine-2-carboxylic acid amide50608-99-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N,N-Dimethyl-4-nitroaniline100-23-2 2,3-Diaminobenzoic acid methyl ester107582-20-7 Ethyl 2-aminopyridine-3-carboxylate13362-26-0 Ethyl 2-aminopyridine-4-carboxylate13362-30-6 Ethyl 3-aminoisonicotinate14208-83-4 2,4-Dimethyl-6-nitroaniline1635-84-3 Beta-(2-pyridyl)-dl-alanine17407-39-5 3-Amino-4-methoxybenzamide17481-27-5

Elsewhere

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