1-butyl-4-(5-fluoro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid

C17H18FNO4 — CID 18426734

IUPAC1-butyl-4-(5-fluoro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
SMILESCCCCn1ccc(-c2cc(F)ccc2OC)c(C(=O)O)c1=O
InChIInChI=1S/C17H18FNO4/c1-3-4-8-19-9-7-12(15(16(19)20)17(21)22)13-10-11(18)5-6-14(13)23-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,21,22)
InChIKeyFMZCFKUZOLNOAF-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.16
Rot. Bonds6

About 1-butyl-4-(5-fluoro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid

1-butyl-4-(5-fluoro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 18426734) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 1-butyl-4-(5-fluoro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-butyl-4-(5-fluoro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
PubChem CID18426734
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name1-butyl-4-(5-fluoro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
SMILESCCCCn1ccc(-c2cc(F)ccc2OC)c(C(=O)O)c1=O
InChIInChI=1S/C17H18FNO4/c1-3-4-8-19-9-7-12(15(16(19)20)17(21)22)13-10-11(18)5-6-14(13)23-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,21,22)
InChIKeyFMZCFKUZOLNOAF-UHFFFAOYSA-N
XLogP3.16
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(5-fluoro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-butyl-4-(5-fluoro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid (CID 18426734) is 1-butyl-4-(5-fluoro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-butyl-4-(5-fluoro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-butyl-4-(5-fluoro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid is CCCCn1ccc(-c2cc(F)ccc2OC)c(C(=O)O)c1=O.
What is the InChIKey of 1-butyl-4-(5-fluoro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is FMZCFKUZOLNOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-3-4-8-19-9-7-12(15(16(19)20)17(21)22)13-10-11(18)5-6-14(13)23-2/h5-7,9-10H,3-4,8H2,1-2H3,(H,21,22).
What are the key properties of 1-butyl-4-(5-fluoro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid?
1-butyl-4-(5-fluoro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 319.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(5-fluoro-2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 18426734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).