4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid

C15H12FNO4 — CID 59634166

IUPAC4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)c1ncc(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C15H12FNO4/c16-11-3-1-9(2-4-11)10-7-13(19)15(17-8-10)12(18)5-6-14(20)21/h1-4,7-8,19H,5-6H2,(H,20,21)
InChIKeyFIOVGNCOURQFCN-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.64
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid

4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid (PubChem CID 59634166) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
PubChem CID59634166
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)c1ncc(-c2ccc(F)cc2)cc1O
InChIInChI=1S/C15H12FNO4/c16-11-3-1-9(2-4-11)10-7-13(19)15(17-8-10)12(18)5-6-14(20)21/h1-4,7-8,19H,5-6H2,(H,20,21)
InChIKeyFIOVGNCOURQFCN-UHFFFAOYSA-N
XLogP2.64
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid
CID 59634167
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide
CID 158403612
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide
CID 160943915
4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,N-dimethyl-4-oxobutanamide;4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
CID 161264557
2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid
CID 71143239
5-(4-fluorophenyl)-3-hydroxy-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 135294730
ethyl 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoate
CID 157404899
4-[5-(3-chloro-2,4,5-trideuterio-6-methylphenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
CID 158756644
1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione
CID 148501489
N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 71143193
2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314255
2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
CID 46314279

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid (CID 59634166) is 4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid is O=C(O)CCC(=O)c1ncc(-c2ccc(F)cc2)cc1O.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid?
The InChIKey is FIOVGNCOURQFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c16-11-3-1-9(2-4-11)10-7-13(19)15(17-8-10)12(18)5-6-14(20)21/h1-4,7-8,19H,5-6H2,(H,20,21).
What are the key properties of 4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid?
4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid has a molecular weight of 289.26 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid is sourced from PubChem (CID 59634166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).