3-(dimethylamino)-7-methoxythieno[3,2-b]pyridine-2-carboxylic acid

C11H12N2O3S — CID 155125867

IUPAC3-(dimethylamino)-7-methoxythieno[3,2-b]pyridine-2-carboxylic acid
SMILESCOc1ccnc2c(N(C)C)c(C(=O)O)sc12
InChIInChI=1S/C11H12N2O3S/c1-13(2)8-7-9(17-10(8)11(14)15)6(16-3)4-5-12-7/h4-5H,1-3H3,(H,14,15)
InChIKeyVXMGTOFWZXMCJP-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.07
Rot. Bonds3

About 3-(dimethylamino)-7-methoxythieno[3,2-b]pyridine-2-carboxylic acid

3-(dimethylamino)-7-methoxythieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 155125867) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-(dimethylamino)-7-methoxythieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylamino)-7-methoxythieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID155125867
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name3-(dimethylamino)-7-methoxythieno[3,2-b]pyridine-2-carboxylic acid
SMILESCOc1ccnc2c(N(C)C)c(C(=O)O)sc12
InChIInChI=1S/C11H12N2O3S/c1-13(2)8-7-9(17-10(8)11(14)15)6(16-3)4-5-12-7/h4-5H,1-3H3,(H,14,15)
InChIKeyVXMGTOFWZXMCJP-UHFFFAOYSA-N
XLogP2.07
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-7-methoxythieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(dimethylamino)-7-methoxythieno[3,2-b]pyridine-2-carboxylic acid (CID 155125867) is 3-(dimethylamino)-7-methoxythieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(dimethylamino)-7-methoxythieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(dimethylamino)-7-methoxythieno[3,2-b]pyridine-2-carboxylic acid is COc1ccnc2c(N(C)C)c(C(=O)O)sc12.
What is the InChIKey of 3-(dimethylamino)-7-methoxythieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is VXMGTOFWZXMCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-13(2)8-7-9(17-10(8)11(14)15)6(16-3)4-5-12-7/h4-5H,1-3H3,(H,14,15).
What are the key properties of 3-(dimethylamino)-7-methoxythieno[3,2-b]pyridine-2-carboxylic acid?
3-(dimethylamino)-7-methoxythieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-7-methoxythieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 155125867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).