4-anilinothieno[2,3-b]pyridine-5-carboxylic acid

C14H10N2O2S — CID 44561819

IUPAC4-anilinothieno[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2sccc2c1Nc1ccccc1
InChIInChI=1S/C14H10N2O2S/c17-14(18)11-8-15-13-10(6-7-19-13)12(11)16-9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18)
InChIKeyRQQDVTLTIHXXQB-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.74
Rot. Bonds3

About 4-anilinothieno[2,3-b]pyridine-5-carboxylic acid

4-anilinothieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 44561819) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-anilinothieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-anilinothieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID44561819
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name4-anilinothieno[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2sccc2c1Nc1ccccc1
InChIInChI=1S/C14H10N2O2S/c17-14(18)11-8-15-13-10(6-7-19-13)12(11)16-9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18)
InChIKeyRQQDVTLTIHXXQB-UHFFFAOYSA-N
XLogP3.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-anilinothieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-anilinothieno[2,3-b]pyridine-5-carboxylic acid (CID 44561819) is 4-anilinothieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-anilinothieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-anilinothieno[2,3-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2sccc2c1Nc1ccccc1.
What is the InChIKey of 4-anilinothieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is RQQDVTLTIHXXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-14(18)11-8-15-13-10(6-7-19-13)12(11)16-9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18).
What are the key properties of 4-anilinothieno[2,3-b]pyridine-5-carboxylic acid?
4-anilinothieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinothieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 44561819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).