5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid

C11H15NO2S — CID 70791257

IUPAC5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid
SMILESCN1Cc2cc(C(=O)O)sc2C(C)(C)C1
InChIInChI=1S/C11H15NO2S/c1-11(2)6-12(3)5-7-4-8(10(13)14)15-9(7)11/h4H,5-6H2,1-3H3,(H,13,14)
InChIKeyYTBIBMHEDKVDFH-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.17
Rot. Bonds1

About 5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid

5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid (PubChem CID 70791257) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid
PubChem CID70791257
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid
SMILESCN1Cc2cc(C(=O)O)sc2C(C)(C)C1
InChIInChI=1S/C11H15NO2S/c1-11(2)6-12(3)5-7-4-8(10(13)14)15-9(7)11/h4H,5-6H2,1-3H3,(H,13,14)
InChIKeyYTBIBMHEDKVDFH-UHFFFAOYSA-N
XLogP2.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid (CID 70791257) is 5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid is CN1Cc2cc(C(=O)O)sc2C(C)(C)C1.
What is the InChIKey of 5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is YTBIBMHEDKVDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-11(2)6-12(3)5-7-4-8(10(13)14)15-9(7)11/h4H,5-6H2,1-3H3,(H,13,14).
What are the key properties of 5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid?
5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-trimethyl-4,6-dihydrothieno[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 70791257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).