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

C15H7F2NO3S — CID 18516351

IUPAC4-(2,4-difluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid
SMILESO=Cc1cc2c(-c3ccc(F)cc3F)cnc(C(=O)O)c2s1
InChIInChI=1S/C15H7F2NO3S/c16-7-1-2-9(12(17)3-7)11-5-18-13(15(20)21)14-10(11)4-8(6-19)22-14/h1-6H,(H,20,21)
InChIKeyGHHZVVJMCQTOPL-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.75
Rot. Bonds3

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

4-(2,4-difluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid (PubChem CID 18516351) has the molecular formula C15H7F2NO3S and a molecular weight of 319.29 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid
PubChem CID18516351
Molecular FormulaC15H7F2NO3S
Molecular Weight319.29 g/mol
Exact Mass319.01
IUPAC Name4-(2,4-difluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid
SMILESO=Cc1cc2c(-c3ccc(F)cc3F)cnc(C(=O)O)c2s1
InChIInChI=1S/C15H7F2NO3S/c16-7-1-2-9(12(17)3-7)11-5-18-13(15(20)21)14-10(11)4-8(6-19)22-14/h1-6H,(H,20,21)
InChIKeyGHHZVVJMCQTOPL-UHFFFAOYSA-N
XLogP3.75
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid?
The IUPAC name of 4-(2,4-difluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid (CID 18516351) is 4-(2,4-difluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid is O=Cc1cc2c(-c3ccc(F)cc3F)cnc(C(=O)O)c2s1.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid?
The InChIKey is GHHZVVJMCQTOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F2NO3S/c16-7-1-2-9(12(17)3-7)11-5-18-13(15(20)21)14-10(11)4-8(6-19)22-14/h1-6H,(H,20,21).
What are the key properties of 4-(2,4-difluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid?
4-(2,4-difluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid has a molecular weight of 319.29 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-formylthieno[2,3-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 18516351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).