7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid

C20H13NO3S — CID 58622643

IUPAC7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(-c3cccc(-c4ccccc4)c3)c[nH]c(=O)c2s1
InChIInChI=1S/C20H13NO3S/c22-19-18-15(10-17(25-18)20(23)24)16(11-21-19)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H,21,22)(H,23,24)
InChIKeyPPIHIJOSXWJMGZ-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.62
Rot. Bonds3

About 7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid

7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 58622643) has the molecular formula C20H13NO3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID58622643
Molecular FormulaC20H13NO3S
Molecular Weight347.40 g/mol
Exact Mass347.06
IUPAC Name7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(-c3cccc(-c4ccccc4)c3)c[nH]c(=O)c2s1
InChIInChI=1S/C20H13NO3S/c22-19-18-15(10-17(25-18)20(23)24)16(11-21-19)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H,21,22)(H,23,24)
InChIKeyPPIHIJOSXWJMGZ-UHFFFAOYSA-N
XLogP4.62
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid (CID 58622643) is 7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid is O=C(O)c1cc2c(-c3cccc(-c4ccccc4)c3)c[nH]c(=O)c2s1.
What is the InChIKey of 7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is PPIHIJOSXWJMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3S/c22-19-18-15(10-17(25-18)20(23)24)16(11-21-19)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H,21,22)(H,23,24).
What are the key properties of 7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid?
7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 347.40 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-4-(3-phenylphenyl)-6H-thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 58622643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).