ethyl 3-(3-fluoro-4-pyridinyl)propanoate

C10H12FNO2 — CID 10058530

IUPACethyl 3-(3-fluoro-4-pyridinyl)propanoate
SMILESCCOC(=O)CCc1ccncc1F
InChIInChI=1S/C10H12FNO2/c1-2-14-10(13)4-3-8-5-6-12-7-9(8)11/h5-7H,2-4H2,1H3
InChIKeyMFDAFFSCINOXCY-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.72
Rot. Bonds4

About ethyl 3-(3-fluoro-4-pyridinyl)propanoate

ethyl 3-(3-fluoro-4-pyridinyl)propanoate (PubChem CID 10058530) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is ethyl 3-(3-fluoro-4-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-fluoro-4-pyridinyl)propanoate
PubChem CID10058530
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Nameethyl 3-(3-fluoro-4-pyridinyl)propanoate
SMILESCCOC(=O)CCc1ccncc1F
InChIInChI=1S/C10H12FNO2/c1-2-14-10(13)4-3-8-5-6-12-7-9(8)11/h5-7H,2-4H2,1H3
InChIKeyMFDAFFSCINOXCY-UHFFFAOYSA-N
XLogP1.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(3-fluoro-4-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-(3-fluoro-4-pyridinyl)propanoate?
The IUPAC name of ethyl 3-(3-fluoro-4-pyridinyl)propanoate (CID 10058530) is ethyl 3-(3-fluoro-4-pyridinyl)propanoate.
What is the SMILES notation for ethyl 3-(3-fluoro-4-pyridinyl)propanoate?
The canonical SMILES for ethyl 3-(3-fluoro-4-pyridinyl)propanoate is CCOC(=O)CCc1ccncc1F.
What is the InChIKey of ethyl 3-(3-fluoro-4-pyridinyl)propanoate?
The InChIKey is MFDAFFSCINOXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-2-14-10(13)4-3-8-5-6-12-7-9(8)11/h5-7H,2-4H2,1H3.
What are the key properties of ethyl 3-(3-fluoro-4-pyridinyl)propanoate?
ethyl 3-(3-fluoro-4-pyridinyl)propanoate has a molecular weight of 197.21 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-fluoro-4-pyridinyl)propanoate is sourced from PubChem (CID 10058530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).