4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid

C16H11FN2O3S — CID 169144279

IUPAC4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ncccc2OCc2cncc(F)c2)cs1
InChIInChI=1S/C16H11FN2O3S/c17-12-4-10(6-18-7-12)8-22-13-2-1-3-19-15(13)11-5-14(16(20)21)23-9-11/h1-7,9H,8H2,(H,20,21)
InChIKeyXZJKRXXAZZMMEV-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.62
Rot. Bonds5

About 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid

4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid (PubChem CID 169144279) has the molecular formula C16H11FN2O3S and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid
PubChem CID169144279
Molecular FormulaC16H11FN2O3S
Molecular Weight330.34 g/mol
Exact Mass330.05
IUPAC Name4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ncccc2OCc2cncc(F)c2)cs1
InChIInChI=1S/C16H11FN2O3S/c17-12-4-10(6-18-7-12)8-22-13-2-1-3-19-15(13)11-5-14(16(20)21)23-9-11/h1-7,9H,8H2,(H,20,21)
InChIKeyXZJKRXXAZZMMEV-UHFFFAOYSA-N
XLogP3.62
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid (CID 169144279) is 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid is O=C(O)c1cc(-c2ncccc2OCc2cncc(F)c2)cs1.
What is the InChIKey of 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid?
The InChIKey is XZJKRXXAZZMMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3S/c17-12-4-10(6-18-7-12)8-22-13-2-1-3-19-15(13)11-5-14(16(20)21)23-9-11/h1-7,9H,8H2,(H,20,21).
What are the key properties of 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid?
4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 169144279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).