4-(4-fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid

C14H9FN2O2S — CID 44561855

IUPAC4-(4-fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2sccc2c1Nc1ccc(F)cc1
InChIInChI=1S/C14H9FN2O2S/c15-8-1-3-9(4-2-8)17-12-10-5-6-20-13(10)16-7-11(12)14(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyPKYQONOOAOJNPN-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.88
Rot. Bonds3

About 4-(4-fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid

4-(4-fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 44561855) has the molecular formula C14H9FN2O2S and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-(4-fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID44561855
Molecular FormulaC14H9FN2O2S
Molecular Weight288.30 g/mol
Exact Mass288.04
IUPAC Name4-(4-fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2sccc2c1Nc1ccc(F)cc1
InChIInChI=1S/C14H9FN2O2S/c15-8-1-3-9(4-2-8)17-12-10-5-6-20-13(10)16-7-11(12)14(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyPKYQONOOAOJNPN-UHFFFAOYSA-N
XLogP3.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-(4-fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid (CID 44561855) is 4-(4-fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(4-fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(4-fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2sccc2c1Nc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is PKYQONOOAOJNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S/c15-8-1-3-9(4-2-8)17-12-10-5-6-20-13(10)16-7-11(12)14(18)19/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 4-(4-fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid?
4-(4-fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 44561855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).