6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid

C13H10N2O2S — CID 66561793

IUPAC6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1c(C(=O)O)[nH]c2c(-c3cccnc3)csc12
InChIInChI=1S/C13H10N2O2S/c1-7-10(13(16)17)15-11-9(6-18-12(7)11)8-3-2-4-14-5-8/h2-6,15H,1H3,(H,16,17)
InChIKeyZESRMEYJKLCOJM-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.30
Rot. Bonds2

About 6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid

6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 66561793) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
PubChem CID66561793
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1c(C(=O)O)[nH]c2c(-c3cccnc3)csc12
InChIInChI=1S/C13H10N2O2S/c1-7-10(13(16)17)15-11-9(6-18-12(7)11)8-3-2-4-14-5-8/h2-6,15H,1H3,(H,16,17)
InChIKeyZESRMEYJKLCOJM-UHFFFAOYSA-N
XLogP3.30
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (CID 66561793) is 6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid is Cc1c(C(=O)O)[nH]c2c(-c3cccnc3)csc12.
What is the InChIKey of 6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is ZESRMEYJKLCOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-7-10(13(16)17)15-11-9(6-18-12(7)11)8-3-2-4-14-5-8/h2-6,15H,1H3,(H,16,17).
What are the key properties of 6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid?
6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pyridin-3-yl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 66561793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).