4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid

C15H8FNO3S — CID 18516296

IUPAC4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid
SMILESO=Cc1cc2c(-c3ccc(F)cc3)cnc(C(=O)O)c2s1
InChIInChI=1S/C15H8FNO3S/c16-9-3-1-8(2-4-9)12-6-17-13(15(19)20)14-11(12)5-10(7-18)21-14/h1-7H,(H,19,20)
InChIKeyIIYLMPLEGGKYPY-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.61
Rot. Bonds3

About 4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid

4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid (PubChem CID 18516296) has the molecular formula C15H8FNO3S and a molecular weight of 301.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid
PubChem CID18516296
Molecular FormulaC15H8FNO3S
Molecular Weight301.30 g/mol
Exact Mass301.02
IUPAC Name4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid
SMILESO=Cc1cc2c(-c3ccc(F)cc3)cnc(C(=O)O)c2s1
InChIInChI=1S/C15H8FNO3S/c16-9-3-1-8(2-4-9)12-6-17-13(15(19)20)14-11(12)5-10(7-18)21-14/h1-7H,(H,19,20)
InChIKeyIIYLMPLEGGKYPY-UHFFFAOYSA-N
XLogP3.61
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid (CID 18516296) is 4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid is O=Cc1cc2c(-c3ccc(F)cc3)cnc(C(=O)O)c2s1.
What is the InChIKey of 4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid?
The InChIKey is IIYLMPLEGGKYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FNO3S/c16-9-3-1-8(2-4-9)12-6-17-13(15(19)20)14-11(12)5-10(7-18)21-14/h1-7H,(H,19,20).
What are the key properties of 4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid?
4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 18516296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).