Methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate

C₉H₈N₂O₂SCAS 111042-90-1208.24 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₉H₈N₂O₂S
Molar mass: 208.24 g/mol
Exact mass: 208.0306 Da
Melting point: 122 °C
logP: 1.67Crippen estimate
Polar surface area: 65.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 1

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 the 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

111042-90-1

SMILES

COC(=O)c1sc2cccnc2c1N

InChIKey

FFHLOZJKPAWEAX-UHFFFAOYSA-N

InChI

InChI=1S/C9H8N2O2S/c1-13-9(12)8-6(10)7-5(14-8)3-2-4-11-7/h2-4H,10H2,1H3

Weigh it out

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

Names and synonyms

2 names

Thieno[3,2-b]pyridine-2-carboxylic acid, 3-amino-, methyl ester
3-Aminothieno[3,2-b]pyridine-2-carboxylic acid methyl ester

Work with Methyl 3-aminothieno[3,2-b]pyridine-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 2-aminopyridine-3-carboxylate14667-47-149 % similar Methyl 3-amino-2-pyridinecarboxylate36052-27-449 % similar Methyl 3-chlorobenzo[B]thiophene-2-carboxylate21211-07-446 % similar 2-Fluoronicotinic acid methyl ester446-26-446 % similar 2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-944 % similar Methyl 3-amino-2-chloroisonicotinate173435-41-144 % similar Methyl 4-amino-1,3-thiazole-5-carboxylate278183-10-143 % similar Methyl 3-methylpyridine-2-carboxylate59718-84-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2-Benzimidazolylthio)-acetic acid3042-00-0 2-Amino-benzothiazole-6-carboxylic acid methyl ester66947-92-0

Elsewhere

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