3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid

C20H13FN2O2S — CID 3255800

IUPAC3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12
InChIInChI=1S/C20H13FN2O2S/c21-13-8-6-12(7-9-13)15-10-14(11-4-2-1-3-5-11)16-17(22)18(20(24)25)26-19(16)23-15/h1-10H,22H2,(H,24,25)
InChIKeyIYHKHHSQLXZKTP-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.05
Rot. Bonds3

About 3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid

3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 3255800) has the molecular formula C20H13FN2O2S and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID3255800
Molecular FormulaC20H13FN2O2S
Molecular Weight364.40 g/mol
Exact Mass364.07
IUPAC Name3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12
InChIInChI=1S/C20H13FN2O2S/c21-13-8-6-12(7-9-13)15-10-14(11-4-2-1-3-5-11)16-17(22)18(20(24)25)26-19(16)23-15/h1-10H,22H2,(H,24,25)
InChIKeyIYHKHHSQLXZKTP-UHFFFAOYSA-N
XLogP5.05
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid (CID 3255800) is 3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid is Nc1c(C(=O)O)sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12.
What is the InChIKey of 3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is IYHKHHSQLXZKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O2S/c21-13-8-6-12(7-9-13)15-10-14(11-4-2-1-3-5-11)16-17(22)18(20(24)25)26-19(16)23-15/h1-10H,22H2,(H,24,25).
What are the key properties of 3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 3255800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).