4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid

C14H12N2O2S — CID 676133

IUPAC4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cc(C)c2c(-n3cccc3)c(C(=O)O)sc2n1
InChIInChI=1S/C14H12N2O2S/c1-8-7-9(2)15-13-10(8)11(12(19-13)14(17)18)16-5-3-4-6-16/h3-7H,1-2H3,(H,17,18)
InChIKeyUNQRVZUMSWJRSU-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.40
Rot. Bonds2

About 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid

4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 676133) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID676133
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCc1cc(C)c2c(-n3cccc3)c(C(=O)O)sc2n1
InChIInChI=1S/C14H12N2O2S/c1-8-7-9(2)15-13-10(8)11(12(19-13)14(17)18)16-5-3-4-6-16/h3-7H,1-2H3,(H,17,18)
InChIKeyUNQRVZUMSWJRSU-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid (CID 676133) is 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid is Cc1cc(C)c2c(-n3cccc3)c(C(=O)O)sc2n1.
What is the InChIKey of 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is UNQRVZUMSWJRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-8-7-9(2)15-13-10(8)11(12(19-13)14(17)18)16-5-3-4-6-16/h3-7H,1-2H3,(H,17,18).
What are the key properties of 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid?
4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 676133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).