ethyl 5-(3-fluorophenyl)pyridine-3-carboxylate

C14H12FNO2 — CID 44631778

IUPACethyl 5-(3-fluorophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2cccc(F)c2)c1
InChIInChI=1S/C14H12FNO2/c1-2-18-14(17)12-6-11(8-16-9-12)10-4-3-5-13(15)7-10/h3-9H,2H2,1H3
InChIKeyFFFOYBJVGYLMQK-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.06
Rot. Bonds3

About ethyl 5-(3-fluorophenyl)pyridine-3-carboxylate

ethyl 5-(3-fluorophenyl)pyridine-3-carboxylate (PubChem CID 44631778) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is ethyl 5-(3-fluorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-fluorophenyl)pyridine-3-carboxylate
PubChem CID44631778
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Nameethyl 5-(3-fluorophenyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(-c2cccc(F)c2)c1
InChIInChI=1S/C14H12FNO2/c1-2-18-14(17)12-6-11(8-16-9-12)10-4-3-5-13(15)7-10/h3-9H,2H2,1H3
InChIKeyFFFOYBJVGYLMQK-UHFFFAOYSA-N
XLogP3.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 5-(3-fluorophenyl)pyridine-3-carboxylate 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 5-(3-fluorophenyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(3-fluorophenyl)pyridine-3-carboxylate (CID 44631778) is ethyl 5-(3-fluorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-fluorophenyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(3-fluorophenyl)pyridine-3-carboxylate is CCOC(=O)c1cncc(-c2cccc(F)c2)c1.
What is the InChIKey of ethyl 5-(3-fluorophenyl)pyridine-3-carboxylate?
The InChIKey is FFFOYBJVGYLMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-2-18-14(17)12-6-11(8-16-9-12)10-4-3-5-13(15)7-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 5-(3-fluorophenyl)pyridine-3-carboxylate?
ethyl 5-(3-fluorophenyl)pyridine-3-carboxylate has a molecular weight of 245.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-fluorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 44631778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).