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

C20H14N2O2S — CID 25218755

IUPAC7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESNc1ncc(-c2cccc(-c3ccccc3)c2)c2cc(C(=O)O)sc12
InChIInChI=1S/C20H14N2O2S/c21-19-18-15(10-17(25-18)20(23)24)16(11-22-19)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,21,22)(H,23,24)
InChIKeyQLIFJRVNFVGUEN-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.91
Rot. Bonds3

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

7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 25218755) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is 7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID25218755
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC Name7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESNc1ncc(-c2cccc(-c3ccccc3)c2)c2cc(C(=O)O)sc12
InChIInChI=1S/C20H14N2O2S/c21-19-18-15(10-17(25-18)20(23)24)16(11-22-19)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,21,22)(H,23,24)
InChIKeyQLIFJRVNFVGUEN-UHFFFAOYSA-N
XLogP4.91
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid (CID 25218755) is 7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid is Nc1ncc(-c2cccc(-c3ccccc3)c2)c2cc(C(=O)O)sc12.
What is the InChIKey of 7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is QLIFJRVNFVGUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S/c21-19-18-15(10-17(25-18)20(23)24)16(11-22-19)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,21,22)(H,23,24).
What are the key properties of 7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid?
7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 346.41 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 25218755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).