5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxopyridine-3-carboxylic acid

C17H18FNO4 — CID 67337684

IUPAC5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxopyridine-3-carboxylic acid
SMILESCC(n1cc(C(=O)O)cc(-c2ccc(F)cc2)c1=O)C(C)(C)O
InChIInChI=1S/C17H18FNO4/c1-10(17(2,3)23)19-9-12(16(21)22)8-14(15(19)20)11-4-6-13(18)7-5-11/h4-10,23H,1-3H3,(H,21,22)
InChIKeyTWTPIHMHMVXGCY-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.68
Rot. Bonds4

About 5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxopyridine-3-carboxylic acid

5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxopyridine-3-carboxylic acid (PubChem CID 67337684) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxopyridine-3-carboxylic acid
PubChem CID67337684
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxopyridine-3-carboxylic acid
SMILESCC(n1cc(C(=O)O)cc(-c2ccc(F)cc2)c1=O)C(C)(C)O
InChIInChI=1S/C17H18FNO4/c1-10(17(2,3)23)19-9-12(16(21)22)8-14(15(19)20)11-4-6-13(18)7-5-11/h4-10,23H,1-3H3,(H,21,22)
InChIKeyTWTPIHMHMVXGCY-UHFFFAOYSA-N
XLogP2.68
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxopyridine-3-carboxylic acid (CID 67337684) is 5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxopyridine-3-carboxylic acid is CC(n1cc(C(=O)O)cc(-c2ccc(F)cc2)c1=O)C(C)(C)O.
What is the InChIKey of 5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is TWTPIHMHMVXGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-10(17(2,3)23)19-9-12(16(21)22)8-14(15(19)20)11-4-6-13(18)7-5-11/h4-10,23H,1-3H3,(H,21,22).
What are the key properties of 5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxopyridine-3-carboxylic acid?
5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 319.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-(3-hydroxy-3-methylbutan-2-yl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 67337684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).