4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid

C16H16FNO5 — CID 67708892

IUPAC4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid
SMILESCc1c(O)c(O)c(-c2ccc(F)cc2)n(CCCC(=O)O)c1=O
InChIInChI=1S/C16H16FNO5/c1-9-14(21)15(22)13(10-4-6-11(17)7-5-10)18(16(9)23)8-2-3-12(19)20/h4-7,21-22H,2-3,8H2,1H3,(H,19,20)
InChIKeyUYNFGWRGWPHXBY-UHFFFAOYSA-N
MW321.30 g/mol
LogP2.24
Rot. Bonds5

About 4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid

4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid (PubChem CID 67708892) has the molecular formula C16H16FNO5 and a molecular weight of 321.30 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid
PubChem CID67708892
Molecular FormulaC16H16FNO5
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid
SMILESCc1c(O)c(O)c(-c2ccc(F)cc2)n(CCCC(=O)O)c1=O
InChIInChI=1S/C16H16FNO5/c1-9-14(21)15(22)13(10-4-6-11(17)7-5-10)18(16(9)23)8-2-3-12(19)20/h4-7,21-22H,2-3,8H2,1H3,(H,19,20)
InChIKeyUYNFGWRGWPHXBY-UHFFFAOYSA-N
XLogP2.24
TPSA99.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid?
The IUPAC name of 4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid (CID 67708892) is 4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid?
The canonical SMILES for 4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid is Cc1c(O)c(O)c(-c2ccc(F)cc2)n(CCCC(=O)O)c1=O.
What is the InChIKey of 4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid?
The InChIKey is UYNFGWRGWPHXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO5/c1-9-14(21)15(22)13(10-4-6-11(17)7-5-10)18(16(9)23)8-2-3-12(19)20/h4-7,21-22H,2-3,8H2,1H3,(H,19,20).
What are the key properties of 4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid?
4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid has a molecular weight of 321.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-3,4-dihydroxy-5-methyl-6-oxo-1-pyridinyl]butanoic acid is sourced from PubChem (CID 67708892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).