Methyl 3-amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxylate
Basic information
- CAS
340692-03-7- Standard SMILES
COC(=O)c1sc2nc(-c3cccnc3)ccc2c1N- InChIKey
MKKLXDPPZAWSRD-UHFFFAOYSA-N- Molecular formula
- C14H11N3O2S
- Average molar mass
- 285.32 g/mol
- Monoisotopic mass
- 285.05719778
Names & identifiers
- Preferred name
- Methyl 3-amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxylate
- IUPAC
- methyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
- English name
- methyl 3-amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxylate
- Molecular formula
- C14H11N3O2S
- Molecular weight
- 285.32
Names & synonyms
methyl 3-amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxylateOprea1_295269STK010657AKOS002170381ST50055898methyl 3-amino-6-(3-pyridyl)thiopheno[2,3-b]pyridine-2-carboxylateMETHYL 3-AMINO-6-(3-PYRIDINYL)THIENO(2,3-B)PYRIDINE-2-CARBOXYLATEThieno[2,3-b]pyridine-2-carboxylic acid, 3-amino-6-(3-pyridinyl)-, methyl ester
Database identifiers
- CAS
340692-03-7- PubChem CID
- 948675
- EC Number
- 124-732-6
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Boiling point
- 520.3 · 520.3±45.0 °C(Predicted)
- Density
- 1.392 · 1.392±0.06 g/cm3(Predicted)
- pka
- 3.58 · 3.58±0.12(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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