2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one

C13H10N2OS — CID 57269363

IUPAC2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one
SMILESNc1ccc(-c2cc3c(=O)cc[nH]c3s2)cc1
InChIInChI=1S/C13H10N2OS/c14-9-3-1-8(2-4-9)12-7-10-11(16)5-6-15-13(10)17-12/h1-7H,14H2,(H,15,16)
InChIKeyOEKFMIUWCYZBBN-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.84
Rot. Bonds1

About 2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one

2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one (PubChem CID 57269363) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one
PubChem CID57269363
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one
SMILESNc1ccc(-c2cc3c(=O)cc[nH]c3s2)cc1
InChIInChI=1S/C13H10N2OS/c14-9-3-1-8(2-4-9)12-7-10-11(16)5-6-15-13(10)17-12/h1-7H,14H2,(H,15,16)
InChIKeyOEKFMIUWCYZBBN-UHFFFAOYSA-N
XLogP2.84
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one?
The IUPAC name of 2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one (CID 57269363) is 2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one?
The canonical SMILES for 2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one is Nc1ccc(-c2cc3c(=O)cc[nH]c3s2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one?
The InChIKey is OEKFMIUWCYZBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c14-9-3-1-8(2-4-9)12-7-10-11(16)5-6-15-13(10)17-12/h1-7H,14H2,(H,15,16).
What are the key properties of 2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one?
2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one has a molecular weight of 242.30 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-7H-thieno[2,3-b]pyridin-4-one is sourced from PubChem (CID 57269363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).