chempirical

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

C9H8N2O2SCAS 111042-90-1208.24 g/mol

Open in Covalent MOL file
OOSNNH2
EsterPrimary 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 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1

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

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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 3-amino-2-pyridinecarboxylate36052-27-449 % similar 2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-944 % similar Methyl picolinate2459-07-643 % similar Methyl 2-pyrimidinecarboxylate34253-03-743 % similar Methyl 6-quinolinecarboxylate38896-30-943 % similar Methyl 2-chloronicotinate40134-18-743 % similar Methyl 3-amino-4-methylthiophene-2-carboxylate85006-31-143 % similar Methyl 3-aminothiophene-2-carboxylate22288-78-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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