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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Related Compounds

4,5,6,7-Tetrahydro-2-(1H-pyrrol-1-yl)benzo(b)thiophene-3-carboxylic acid
CID 913166
5-(Thiophen-2-yl)nicotinic Acid
CID 2776322
3-[2-[(4-Methylcyclohexylidene)methyl]-3-pyridinyl]-5-phenylthiophene-2-carboxylic acid
CID 49863000
2-Phenyl-7-pyridin-3-yl-7-thiophen-2-yl-hept-6-enoic acid
CID 13417299
(Z)-2-phenyl-7-pyridin-3-yl-7-thiophen-2-ylhept-6-enoic acid
CID 13417300
3-(2-Thienyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
CID 1486483
6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
CID 66561793
5-pyridin-3-ylthiophene-2-carboxylic Acid
CID 4739100
4-Phenylthieno[2,3-c]pyridine-2-carboxylic acid
CID 49830794
2-(Thiophen-2-yl)pyridine-4-carboxylic acid
CID 4739102
5-(Pyridin-4-yl)thiophene-2-carboxylic acid
CID 21928576
2-(Pyridin-2-ylsulfanylmethyl)benzoic acid
CID 1505919

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).