methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-3-carboxylate

C17H18FNO4 — CID 54708955

IUPACmethyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1c(O)cc(C(C)(C)C)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H18FNO4/c1-17(2,3)13-9-12(20)14(16(22)23-4)15(21)19(13)11-7-5-10(18)6-8-11/h5-9,20H,1-4H3
InChIKeyIBLXEDOROWSILB-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.77
Rot. Bonds2

About methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-3-carboxylate

methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-3-carboxylate (PubChem CID 54708955) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-3-carboxylate
PubChem CID54708955
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Namemethyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1c(O)cc(C(C)(C)C)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H18FNO4/c1-17(2,3)13-9-12(20)14(16(22)23-4)15(21)19(13)11-7-5-10(18)6-8-11/h5-9,20H,1-4H3
InChIKeyIBLXEDOROWSILB-UHFFFAOYSA-N
XLogP2.77
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-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 methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-3-carboxylate (CID 54708955) is methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-3-carboxylate is COC(=O)c1c(O)cc(C(C)(C)C)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-3-carboxylate?
The InChIKey is IBLXEDOROWSILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-17(2,3)13-9-12(20)14(16(22)23-4)15(21)19(13)11-7-5-10(18)6-8-11/h5-9,20H,1-4H3.
What are the key properties of methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-3-carboxylate?
methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-3-carboxylate has a molecular weight of 319.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-tert-butyl-1-(4-fluorophenyl)-4-hydroxy-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 54708955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).