2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic acid

C14H12FNO2 — CID 11701512

IUPAC2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2ccncc2)c(F)c1
InChIInChI=1S/C14H12FNO2/c1-9(14(17)18)11-2-3-12(13(15)8-11)10-4-6-16-7-5-10/h2-9H,1H3,(H,17,18)
InChIKeyRXVYMKYGSXJURY-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.08
Rot. Bonds3

About 2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic acid

2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic acid (PubChem CID 11701512) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic acid
PubChem CID11701512
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2ccncc2)c(F)c1
InChIInChI=1S/C14H12FNO2/c1-9(14(17)18)11-2-3-12(13(15)8-11)10-4-6-16-7-5-10/h2-9H,1H3,(H,17,18)
InChIKeyRXVYMKYGSXJURY-UHFFFAOYSA-N
XLogP3.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic 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 2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic acid?
The IUPAC name of 2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic acid (CID 11701512) is 2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic acid?
The canonical SMILES for 2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic acid is CC(C(=O)O)c1ccc(-c2ccncc2)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic acid?
The InChIKey is RXVYMKYGSXJURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9(14(17)18)11-2-3-12(13(15)8-11)10-4-6-16-7-5-10/h2-9H,1H3,(H,17,18).
What are the key properties of 2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic acid?
2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic acid has a molecular weight of 245.25 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyridin-4-ylphenyl)propanoic acid is sourced from PubChem (CID 11701512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).