3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid

C17H18FNO3 — CID 139019060

IUPAC3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid
SMILESCC(C)Oc1cncc(-c2ccc(F)cc2CCC(=O)O)c1
InChIInChI=1S/C17H18FNO3/c1-11(2)22-15-8-13(9-19-10-15)16-5-4-14(18)7-12(16)3-6-17(20)21/h4-5,7-11H,3,6H2,1-2H3,(H,20,21)
InChIKeyPNVTZMDZPAXOOH-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.69
Rot. Bonds6

About 3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid

3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid (PubChem CID 139019060) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid
PubChem CID139019060
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid
SMILESCC(C)Oc1cncc(-c2ccc(F)cc2CCC(=O)O)c1
InChIInChI=1S/C17H18FNO3/c1-11(2)22-15-8-13(9-19-10-15)16-5-4-14(18)7-12(16)3-6-17(20)21/h4-5,7-11H,3,6H2,1-2H3,(H,20,21)
InChIKeyPNVTZMDZPAXOOH-UHFFFAOYSA-N
XLogP3.69
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]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 3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid?
The IUPAC name of 3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid (CID 139019060) is 3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid?
The canonical SMILES for 3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid is CC(C)Oc1cncc(-c2ccc(F)cc2CCC(=O)O)c1.
What is the InChIKey of 3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid?
The InChIKey is PNVTZMDZPAXOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-11(2)22-15-8-13(9-19-10-15)16-5-4-14(18)7-12(16)3-6-17(20)21/h4-5,7-11H,3,6H2,1-2H3,(H,20,21).
What are the key properties of 3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid?
3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid has a molecular weight of 303.33 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid is sourced from PubChem (CID 139019060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).