methyl 3-formyl-4-methoxythieno[2,3-b]pyridine-2-carboxylate

C11H9NO4S — CID 58837092

IUPACmethyl 3-formyl-4-methoxythieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nccc(OC)c2c1C=O
InChIInChI=1S/C11H9NO4S/c1-15-7-3-4-12-10-8(7)6(5-13)9(17-10)11(14)16-2/h3-5H,1-2H3
InChIKeyDNKRUOGFMJBFBS-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.90
Rot. Bonds3

About methyl 3-formyl-4-methoxythieno[2,3-b]pyridine-2-carboxylate

methyl 3-formyl-4-methoxythieno[2,3-b]pyridine-2-carboxylate (PubChem CID 58837092) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is methyl 3-formyl-4-methoxythieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-formyl-4-methoxythieno[2,3-b]pyridine-2-carboxylate
PubChem CID58837092
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Namemethyl 3-formyl-4-methoxythieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2nccc(OC)c2c1C=O
InChIInChI=1S/C11H9NO4S/c1-15-7-3-4-12-10-8(7)6(5-13)9(17-10)11(14)16-2/h3-5H,1-2H3
InChIKeyDNKRUOGFMJBFBS-UHFFFAOYSA-N
XLogP1.90
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-formyl-4-methoxythieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-formyl-4-methoxythieno[2,3-b]pyridine-2-carboxylate (CID 58837092) is methyl 3-formyl-4-methoxythieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-formyl-4-methoxythieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-formyl-4-methoxythieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2nccc(OC)c2c1C=O.
What is the InChIKey of methyl 3-formyl-4-methoxythieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is DNKRUOGFMJBFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S/c1-15-7-3-4-12-10-8(7)6(5-13)9(17-10)11(14)16-2/h3-5H,1-2H3.
What are the key properties of methyl 3-formyl-4-methoxythieno[2,3-b]pyridine-2-carboxylate?
methyl 3-formyl-4-methoxythieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 251.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formyl-4-methoxythieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 58837092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).