ethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate

C16H16FNO2 — CID 68537058

IUPACethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C16H16FNO2/c1-2-20-16(19)10-8-12-7-9-15(18-11-12)13-5-3-4-6-14(13)17/h3-7,9,11H,2,8,10H2,1H3
InChIKeyARLYUQVNVNJDOO-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.38
Rot. Bonds5

About ethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate

ethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate (PubChem CID 68537058) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is ethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate
PubChem CID68537058
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Nameethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate
SMILESCCOC(=O)CCc1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C16H16FNO2/c1-2-20-16(19)10-8-12-7-9-15(18-11-12)13-5-3-4-6-14(13)17/h3-7,9,11H,2,8,10H2,1H3
InChIKeyARLYUQVNVNJDOO-UHFFFAOYSA-N
XLogP3.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate 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 ethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate?
The IUPAC name of ethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate (CID 68537058) is ethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate.
What is the SMILES notation for ethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate?
The canonical SMILES for ethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate is CCOC(=O)CCc1ccc(-c2ccccc2F)nc1.
What is the InChIKey of ethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate?
The InChIKey is ARLYUQVNVNJDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-2-20-16(19)10-8-12-7-9-15(18-11-12)13-5-3-4-6-14(13)17/h3-7,9,11H,2,8,10H2,1H3.
What are the key properties of ethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate?
ethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate has a molecular weight of 273.31 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[6-(2-fluorophenyl)-3-pyridinyl]propanoate is sourced from PubChem (CID 68537058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).