6-methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid

C13H9NO2S2 — CID 66561718

IUPAC6-methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid
SMILESCc1c(C(=O)O)sc2c(-c3cccnc3)csc12
InChIInChI=1S/C13H9NO2S2/c1-7-10-12(18-11(7)13(15)16)9(6-17-10)8-3-2-4-14-5-8/h2-6H,1H3,(H,15,16)
InChIKeyRROOTAXVHNZLAY-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.03
Rot. Bonds2

About 6-methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid

6-methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid (PubChem CID 66561718) has the molecular formula C13H9NO2S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid
PubChem CID66561718
Molecular FormulaC13H9NO2S2
Molecular Weight275.35 g/mol
Exact Mass275.01
IUPAC Name6-methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid
SMILESCc1c(C(=O)O)sc2c(-c3cccnc3)csc12
InChIInChI=1S/C13H9NO2S2/c1-7-10-12(18-11(7)13(15)16)9(6-17-10)8-3-2-4-14-5-8/h2-6H,1H3,(H,15,16)
InChIKeyRROOTAXVHNZLAY-UHFFFAOYSA-N
XLogP4.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid?
The IUPAC name of 6-methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid (CID 66561718) is 6-methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid.
What is the SMILES notation for 6-methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid?
The canonical SMILES for 6-methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid is Cc1c(C(=O)O)sc2c(-c3cccnc3)csc12.
What is the InChIKey of 6-methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid?
The InChIKey is RROOTAXVHNZLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S2/c1-7-10-12(18-11(7)13(15)16)9(6-17-10)8-3-2-4-14-5-8/h2-6H,1H3,(H,15,16).
What are the key properties of 6-methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid?
6-methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pyridin-3-ylthieno[3,2-b]thiophene-5-carboxylic acid is sourced from PubChem (CID 66561718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).