methyl thieno[3,2-b]pyridine-3-carboxylate

C9H7NO2S — CID 45073292

IUPACmethyl thieno[3,2-b]pyridine-3-carboxylate
SMILESCOC(=O)c1csc2cccnc12
InChIInChI=1S/C9H7NO2S/c1-12-9(11)6-5-13-7-3-2-4-10-8(6)7/h2-5H,1H3
InChIKeyVONXLZSDTMCDLP-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.08
Rot. Bonds1

About methyl thieno[3,2-b]pyridine-3-carboxylate

methyl thieno[3,2-b]pyridine-3-carboxylate (PubChem CID 45073292) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is methyl thieno[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl thieno[3,2-b]pyridine-3-carboxylate
PubChem CID45073292
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Namemethyl thieno[3,2-b]pyridine-3-carboxylate
SMILESCOC(=O)c1csc2cccnc12
InChIInChI=1S/C9H7NO2S/c1-12-9(11)6-5-13-7-3-2-4-10-8(6)7/h2-5H,1H3
InChIKeyVONXLZSDTMCDLP-UHFFFAOYSA-N
XLogP2.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl thieno[3,2-b]pyridine-3-carboxylate?
The IUPAC name of methyl thieno[3,2-b]pyridine-3-carboxylate (CID 45073292) is methyl thieno[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl thieno[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for methyl thieno[3,2-b]pyridine-3-carboxylate is COC(=O)c1csc2cccnc12.
What is the InChIKey of methyl thieno[3,2-b]pyridine-3-carboxylate?
The InChIKey is VONXLZSDTMCDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c1-12-9(11)6-5-13-7-3-2-4-10-8(6)7/h2-5H,1H3.
What are the key properties of methyl thieno[3,2-b]pyridine-3-carboxylate?
methyl thieno[3,2-b]pyridine-3-carboxylate has a molecular weight of 193.23 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl thieno[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 45073292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).