(4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate

C16H16FNO4 — CID 67467540

IUPAC(4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate
SMILESCCOc1ccn(CC)c(=O)c1C(=O)Oc1ccc(F)cc1
InChIInChI=1S/C16H16FNO4/c1-3-18-10-9-13(21-4-2)14(15(18)19)16(20)22-12-7-5-11(17)6-8-12/h5-10H,3-4H2,1-2H3
InChIKeyFCUVLMPWZHCAKH-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.63
Rot. Bonds5

About (4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate

(4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate (PubChem CID 67467540) has the molecular formula C16H16FNO4 and a molecular weight of 305.31 g/mol. Its IUPAC name is (4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate
PubChem CID67467540
Molecular FormulaC16H16FNO4
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC Name(4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate
SMILESCCOc1ccn(CC)c(=O)c1C(=O)Oc1ccc(F)cc1
InChIInChI=1S/C16H16FNO4/c1-3-18-10-9-13(21-4-2)14(15(18)19)16(20)22-12-7-5-11(17)6-8-12/h5-10H,3-4H2,1-2H3
InChIKeyFCUVLMPWZHCAKH-UHFFFAOYSA-N
XLogP2.63
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate?
The IUPAC name of (4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate (CID 67467540) is (4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate.
What is the SMILES notation for (4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate?
The canonical SMILES for (4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate is CCOc1ccn(CC)c(=O)c1C(=O)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate?
The InChIKey is FCUVLMPWZHCAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4/c1-3-18-10-9-13(21-4-2)14(15(18)19)16(20)22-12-7-5-11(17)6-8-12/h5-10H,3-4H2,1-2H3.
What are the key properties of (4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate?
(4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate has a molecular weight of 305.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 4-ethoxy-1-ethyl-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 67467540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).