3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2-carboxylic acid

C11H9NO5S — CID 23646646

IUPAC3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2-carboxylic acid
SMILESCc1cc2sc(C(=O)O)c(OCC(=O)O)c2cn1
InChIInChI=1S/C11H9NO5S/c1-5-2-7-6(3-12-5)9(17-4-8(13)14)10(18-7)11(15)16/h2-3H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyLODQFSPEXAQDDN-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.77
Rot. Bonds4

About 3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2-carboxylic acid

3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2-carboxylic acid (PubChem CID 23646646) has the molecular formula C11H9NO5S and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2-carboxylic acid
PubChem CID23646646
Molecular FormulaC11H9NO5S
Molecular Weight267.26 g/mol
Exact Mass267.02
IUPAC Name3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2-carboxylic acid
SMILESCc1cc2sc(C(=O)O)c(OCC(=O)O)c2cn1
InChIInChI=1S/C11H9NO5S/c1-5-2-7-6(3-12-5)9(17-4-8(13)14)10(18-7)11(15)16/h2-3H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyLODQFSPEXAQDDN-UHFFFAOYSA-N
XLogP1.77
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2-carboxylic acid (CID 23646646) is 3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2-carboxylic acid is Cc1cc2sc(C(=O)O)c(OCC(=O)O)c2cn1.
What is the InChIKey of 3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is LODQFSPEXAQDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5S/c1-5-2-7-6(3-12-5)9(17-4-8(13)14)10(18-7)11(15)16/h2-3H,4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2-carboxylic acid?
3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethoxy)-6-methylthieno[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 23646646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).