Ethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxylate

C16H16FNO3 — CID 22769947

IUPACethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxylate
SMILESCCOC(=O)C1=C(N(C(=CC1=O)C)C2=CC=C(C=C2)F)C
InChIInChI=1S/C16H16FNO3/c1-4-21-16(20)15-11(3)18(10(2)9-14(15)19)13-7-5-12(17)6-8-13/h5-9H,4H2,1-3H3
InChIKeyYRWAKSJSZLHOTC-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.10
Rot. Bonds4

About Ethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxylate

Ethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxylate (PubChem CID 22769947) has the molecular formula C16H16FNO3 and a molecular weight of 289.30 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxylate.

Molecular Properties

Compound NameEthyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxylate
PubChem CID22769947
Molecular FormulaC16H16FNO3
Molecular Weight289.30 g/mol
Exact Mass289.11
IUPAC Nameethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxylate
SMILESCCOC(=O)C1=C(N(C(=CC1=O)C)C2=CC=C(C=C2)F)C
InChIInChI=1S/C16H16FNO3/c1-4-21-16(20)15-11(3)18(10(2)9-14(15)19)13-7-5-12(17)6-8-13/h5-9H,4H2,1-3H3
InChIKeyYRWAKSJSZLHOTC-UHFFFAOYSA-N
XLogP3.10
TPSA46.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity502

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Ethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxylate?
The IUPAC name of Ethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxylate (CID 22769947) is ethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxylate.
What is the SMILES notation for Ethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxylate?
The canonical SMILES for Ethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxylate is CCOC(=O)C1=C(N(C(=CC1=O)C)C2=CC=C(C=C2)F)C.
What is the InChIKey of Ethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxylate?
The InChIKey is YRWAKSJSZLHOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-4-21-16(20)15-11(3)18(10(2)9-14(15)19)13-7-5-12(17)6-8-13/h5-9H,4H2,1-3H3.
What are the key properties of Ethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxylate?
Ethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxylate has a molecular weight of 289.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 1-(4-fluorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxylate is sourced from PubChem (CID 22769947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).