7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid

C11H15NO3S — CID 68588263

IUPAC7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
SMILESCOCC1c2sc(C(=O)O)cc2CCN1C
InChIInChI=1S/C11H15NO3S/c1-12-4-3-7-5-9(11(13)14)16-10(7)8(12)6-15-2/h5,8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyOGGSJYVZISFUHD-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.62
Rot. Bonds3

About 7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid

7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 68588263) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID68588263
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
SMILESCOCC1c2sc(C(=O)O)cc2CCN1C
InChIInChI=1S/C11H15NO3S/c1-12-4-3-7-5-9(11(13)14)16-10(7)8(12)6-15-2/h5,8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyOGGSJYVZISFUHD-UHFFFAOYSA-N
XLogP1.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid (CID 68588263) is 7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid is COCC1c2sc(C(=O)O)cc2CCN1C.
What is the InChIKey of 7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is OGGSJYVZISFUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-12-4-3-7-5-9(11(13)14)16-10(7)8(12)6-15-2/h5,8H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?
7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 241.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 68588263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).