(4-ethylphenyl) pyridine-3-carboxylate

C14H13NO2 — CID 4017774

IUPAC(4-ethylphenyl) pyridine-3-carboxylate
SMILESCCc1ccc(OC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H13NO2/c1-2-11-5-7-13(8-6-11)17-14(16)12-4-3-9-15-10-12/h3-10H,2H2,1H3
InChIKeyFTBINGSVUOZAFH-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.86
Rot. Bonds3

About (4-ethylphenyl) pyridine-3-carboxylate

(4-ethylphenyl) pyridine-3-carboxylate (PubChem CID 4017774) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (4-ethylphenyl) pyridine-3-carboxylate.

Molecular Properties

Compound Name(4-ethylphenyl) pyridine-3-carboxylate
PubChem CID4017774
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(4-ethylphenyl) pyridine-3-carboxylate
SMILESCCc1ccc(OC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H13NO2/c1-2-11-5-7-13(8-6-11)17-14(16)12-4-3-9-15-10-12/h3-10H,2H2,1H3
InChIKeyFTBINGSVUOZAFH-UHFFFAOYSA-N
XLogP2.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-ethylphenyl) 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 (4-ethylphenyl) pyridine-3-carboxylate?
The IUPAC name of (4-ethylphenyl) pyridine-3-carboxylate (CID 4017774) is (4-ethylphenyl) pyridine-3-carboxylate.
What is the SMILES notation for (4-ethylphenyl) pyridine-3-carboxylate?
The canonical SMILES for (4-ethylphenyl) pyridine-3-carboxylate is CCc1ccc(OC(=O)c2cccnc2)cc1.
What is the InChIKey of (4-ethylphenyl) pyridine-3-carboxylate?
The InChIKey is FTBINGSVUOZAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-2-11-5-7-13(8-6-11)17-14(16)12-4-3-9-15-10-12/h3-10H,2H2,1H3.
What are the key properties of (4-ethylphenyl) pyridine-3-carboxylate?
(4-ethylphenyl) pyridine-3-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl) pyridine-3-carboxylate is sourced from PubChem (CID 4017774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).